Chemical Name: Aluminum, tritetracosyl-
IUPAC Name: tritetracosylaluminum
CAS RN: 6651-26-9
Description: single chemical compound
STRUCTURE Formula: C72H147Al
Molecular Weight: 1039.9191
SMILES: CCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC
Note:
Chemical Name: Aluminum, trioctacosyl-
IUPAC Name: trioctacosylaluminum
CAS RN: 6651-27-0
Description: single chemical compound
STRUCTURE Formula: C84H171Al
Molecular Weight: 1208.2381
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCC
Note:
Chemical Name: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester
IUPAC Name: 3-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}-2,2-bis({[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]oxy}methyl)propyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
CAS RN: 6683-19-8
Description: single chemical compound
STRUCTURE Formula: C73H108O12
Molecular Weight: 1177.6314
SMILES: O=C(CCC1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)OCC(COC(CCC3=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C3)=O)(COC(CCC4=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C4)=O)COC(CCC2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C2)=O
Note:
Chemical Name: 1-Propene, tetramer
IUPAC Name: (4E,7E,10E)-dodeca-1,4,7,10-tetraene
CAS RN: 6842-15-5
Description: single chemical compound
STRUCTURE Formula: C12H18
Molecular Weight: 162.2713
SMILES: C/C=C/C/C=C/C/C=C/CC=C
Note:
Chemical Name: Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester
IUPAC Name: 2,2,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate)
CAS RN: 6846-50-0
Description: single chemical compound
STRUCTURE Formula: C16H30O4
Molecular Weight: 286.407
SMILES: O=C(C(C)C)OCC(C)(C)C(C(C)C)OC(C(C)C)=O
Note:
Chemical Name: Butane, 2,2'-oxybis-
IUPAC Name: 2,2'-oxydibutane
CAS RN: 6863-58-7
Description: single chemical compound
STRUCTURE Formula: C8H18O
Molecular Weight: 130.2279
SMILES: CCC(OC(CC)C)C
Note:
Chemical Name: Octadecanoic acid, barium salt
IUPAC Name: barium dioctadecanoate
CAS RN: 6865-35-6
Description: single chemical compound
STRUCTURE Formula: C36H70BaO4
Molecular Weight: 704.2656
SMILES: O=C(CCCCCCCCCCCCCCCCC)[O-].O=C(CCCCCCCCCCCCCCCCC)[O-].[Ba+2]
Note: parent [57-11-4]
Chemical Name: Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1R,2S,5R)-rel-
IUPAC Name: (1R,2S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CAS RN: 6876-13-7
Description: single chemical compound
STRUCTURE Formula: C10H18
Molecular Weight: 138.2499
SMILES: [H][C@@]12CC[C@H](C)[C@](C2)([H])C(C)1C
Note: stereochem
Chemical Name: Ethanol, 2-(2-propoxyethoxy)-
IUPAC Name: 2-(2-propoxyethoxy)ethanol
CAS RN: 6881-94-3
Description: single chemical compound
STRUCTURE Formula: C7H16O3
Molecular Weight: 148.2001
SMILES: OCCOCCOCCC
Note:
Chemical Name: Butanedioic acid, hydroxy-
IUPAC Name: malic acid
CAS RN: 6915-15-7
Description: single chemical compound
STRUCTURE Formula: C4H6O5
Molecular Weight: 134.0874
SMILES: O=C(O)C(O)CC(O)=O
Note:
Chemical Name: Hexanedioic acid, bis(1-methylethyl) ester
IUPAC Name: diisopropyl adipate
CAS RN: 6938-94-9
Description: single chemical compound
STRUCTURE Formula: C12H22O4
Molecular Weight: 230.3007
SMILES: O=C(OC(C)C)CCCCC(OC(C)C)=O
Note:
Chemical Name: 2-Naphthalenecarboxylic acid, 4-[(5-chloro-4-methyl-2-sulfophenyl)azo]-3-hydroxy-, calcium salt (1:1)
IUPAC Name: calcium 4-[(E)-(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate
CAS RN: 7023-61-2
Description: single chemical compound
STRUCTURE Formula: C18H11CaClN2O6S
Molecular Weight: 458.8857
SMILES: O=C([O-])C2=CC1=C(C(/N=N/C3=C(S(=O)([O-])=O)C=C(C)C(Cl)=C3)=C2O)C=CC=C1.[Ca+2]
Note:
Chemical Name: 2-Propenoic acid, 2-cyano-, ethyl ester
IUPAC Name: ethyl 2-cyanoacrylate
CAS RN: 7085-85-0
Description: single chemical compound
STRUCTURE Formula: C6H7NO2
Molecular Weight: 125.1253
SMILES: O=C(OCC)C(=C)C#N
Note:
Chemical Name: 1,3-Propanediamine, N-(9Z)-9-octadecenyl-
IUPAC Name: N-[(9Z)-octadec-9-en-1-yl]propane-1,3-diamine
CAS RN: 7173-62-8
Description: single chemical compound
STRUCTURE Formula: C21H44N2
Molecular Weight: 324.5875
SMILES: NCCCNCCCCCCCC/C=CCCCCCCCC
Note: stereochem
Chemical Name: Oxirane, tetradecyl-
IUPAC Name: 2-tetradecyloxirane
CAS RN: 7320-37-8
Description: single chemical compound
STRUCTURE Formula: C16H32O
Molecular Weight: 240.4247
SMILES: O(C1CCCCCCCCCCCCCC)C1
Note:
Chemical Name: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-amino-, disodium salt
IUPAC Name: disodium 2,2'-(E)-ethene-1,2-diylbis(5-aminobenzenesulfonate)
CAS RN: 7336-20-1
Description: single chemical compound
STRUCTURE Formula: C14H12N2Na2O6S2
Molecular Weight: 414.3644
SMILES: C1(=C(/C=C/C2=C(S(=O)(=O)[O-])C=C(C=C2)N)C=CC(=C1)N)S(=O)(=O)[O-].[Na+].[Na+]
Note: stereochem; parent [81-11-8]
Chemical Name: 2-Propenoic acid, 2-methyl-, 3-(trichlorosilyl)propyl ester
IUPAC Name: 3-(trichlorosilyl)propyl methacrylate
CAS RN: 7351-61-3
Description: single chemical compound
STRUCTURE Formula: C7H11Cl3O2Si
Molecular Weight: 261.6055
SMILES: O=C(OCCC[Si](Cl)(Cl)Cl)C(C)=C
Note:
Chemical Name: D-erythro-Hex-2-enonic acid, .gamma.-lactone, sodium salt
IUPAC Name: sodium (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl]-2-hydroxyethanolate
CAS RN: 7378-23-6
Description: mixture or formulation
STRUCTURE Formula: C6H7NaO6
Molecular Weight: 198.106
SMILES: OC1(=C(O)C(=O)O[C@H]1[C@@H](C[O-])O).[Na+]
Note: CASRN refers to a compound containing xNa, structure shown mono, stereochem, parent [89-65-6]
Chemical Name: 1-Decanamine, N-decyl-N-methyl-
IUPAC Name: N-decyl-N-methyldecan-1-amine
CAS RN: 7396-58-9
Description: single chemical compound
STRUCTURE Formula: C21H45N
Molecular Weight: 311.5887
SMILES: CN(CCCCCCCCCC)CCCCCCCCCC
Note:
Chemical Name: 2-Propen-1-aminium, N,N-dimethyl-N-2-propenyl-, chloride
IUPAC Name: N-allyl-N,N-dimethylprop-2-en-1-aminium chloride
CAS RN: 7398-69-8
Description: single chemical compound
STRUCTURE Formula: C8H16ClN
Molecular Weight: 161.6723
SMILES: C=CC[N+](C)(C)CC=C.[Cl-]
Note: ammonium
Chemical Name: Carbon
IUPAC Name: carbon
CAS RN: 7440-44-0
Description: single chemical compound
STRUCTURE Formula: C
Molecular Weight: 12.0107
SMILES: [C]
Note:
Chemical Name: 2-Propenoic acid, sodium salt
IUPAC Name: sodium acrylate
CAS RN: 7446-81-3
Description: single chemical compound
STRUCTURE Formula: C3H3NaO2
Molecular Weight: 94.0445
SMILES: O=C([O-])C=C.[Na+]
Note: parent [79-10-7]
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