Chemical Name: 2-Butenedioic acid (2Z)-, monomethyl ester
IUPAC Name: (2Z)-4-methoxy-4-oxobut-2-enoic acid
CAS RN: 3052-50-4
Description: single chemical compound
STRUCTURE Formula: C5H6O4
Molecular Weight: 130.0987
SMILES: O=C(O)C=C/C(OC)=O
Note: stereochem
Chemical Name: Methanol, butoxy-
IUPAC Name: butoxymethanol
CAS RN: 3085-35-6
Description: single chemical compound
STRUCTURE Formula: C5H12O2
Molecular Weight: 104.1476
SMILES: OCOCCCC
Note:
Chemical Name: Quino[2,3-b]acridine-7,14-dione, 2,9-dichloro-5,12-dihydro-
IUPAC Name: 2,9-dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione
CAS RN: 3089-17-6
Description: single chemical compound
STRUCTURE Formula: C20H10Cl2N2O2
Molecular Weight: 381.2116
SMILES: O=C1C3=C(C=C(C5=O)C(NC4=C5C=C(Cl)C=C4)=C3)NC2=C1C=C(Cl)C=C2
Note:
Chemical Name: Hexanoic acid, 3,5,5-trimethyl-
IUPAC Name: 3,5,5-trimethylhexanoic acid
CAS RN: 3302-10-1
Description: single chemical compound
STRUCTURE Formula: C9H18O2
Molecular Weight: 158.238
SMILES: O=C(O)CC(C)CC(C)(C)C
Note:
Chemical Name: 1,4-Cyclohexanedicarboxylic acid, dimethyl ester, trans-
IUPAC Name: dimethyl trans-cyclohexane-1,4-dicarboxylate
CAS RN: 3399-22-2
Description: single chemical compound
STRUCTURE Formula: C10H16O4
Molecular Weight: 200.2316
SMILES: O=[C@@](OC)[C@@H]1CC[C@@H]([C@](OC)=O)CC1
Note: stereochem
Chemical Name: Hydroperoxide, 1,1-dimethylpropyl
IUPAC Name: 1,1-dimethylpropyl hydroperoxide
CAS RN: 3425-61-4
Description: single chemical compound
STRUCTURE Formula: C5H12O2
Molecular Weight: 104.1476
SMILES: OOC(C)(C)CC
Note:
Chemical Name: 1-Eicosene
IUPAC Name: icos-1-ene
CAS RN: 3452-07-1
Description: single chemical compound
STRUCTURE Formula: C20H40
Molecular Weight: 280.5316
SMILES: CCCCCCCCCCCCCCCCCCC=C
Note:
Chemical Name: 2-Naphthalenol, 1-[(2,4-dinitrophenyl)azo]-
IUPAC Name: 1-[(E)-(2,4-dinitrophenyl)diazenyl]-2-naphthol
CAS RN: 3468-63-1
Description: single chemical compound
STRUCTURE Formula: C16H10N4O5
Molecular Weight: 338.2744
SMILES: OC2=C(/N=N/C3=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C3)C1=CC=CC=C1C=C2
Note: C.I. 12075
Chemical Name: 9-Octadecenoic acid (9Z)-, decyl ester
IUPAC Name: decyl (9Z)-octadec-9-enoate
CAS RN: 3687-46-5
Description: single chemical compound
STRUCTURE Formula: C28H54O2
Molecular Weight: 422.7272
SMILES: O=C(CCCCCCC/C=CCCCCCCCC)OCCCCCCCCCC
Note:
Chemical Name: 2-Imidazolidinone, 1-(2-hydroxyethyl)-
IUPAC Name: 1-(2-hydroxyethyl)imidazolidin-2-one
CAS RN: 3699-54-5
Description: single chemical compound
STRUCTURE Formula: C5H10N2O2
Molecular Weight: 130.1451
SMILES: O=C1N(CCO)CCN1
Note:
Chemical Name: Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt
IUPAC Name: disodium 2-{(Z)-(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)[(4Z)-4-{ethyl[(3-sulfonatophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene]methyl}benzenesulfonate
CAS RN: 3844-45-9
Description: single chemical compound
STRUCTURE Formula: C37H34N2Na2O9S3
Molecular Weight: 792.8484
SMILES: O=S(=O)(C1=C(C=CC=C1)/C(=C2C=C/C(=[N+](/CC3=CC(=CC=C3)S(=O)(=O)[O-])CC)C=C2)C4=CC=C(C=C4)N(CC5=CC(=CC=C5)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+]
Note: ammonium
Chemical Name: Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-
IUPAC Name: 2,6-di-tert-butyl-4-ethylphenol
CAS RN: 4130-42-1
Description: single chemical compound
STRUCTURE Formula: C16H26O
Molecular Weight: 234.377
SMILES: OC1=C(C(C)(C)C)C=C(CC)C=C1C(C)(C)C
Note:
Chemical Name: Ethanesulfonic acid, 2-(methylamino)-, monosodium salt
IUPAC Name: sodium 2-(methylamino)ethanesulfonate
CAS RN: 4316-74-9
Description: single chemical compound
STRUCTURE Formula: C3H8NNaO3S
Molecular Weight: 161.1553
SMILES: O=S(CCNC)([O-])=O.[Na+]
Note: parent [107-68-6]
Chemical Name: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-
IUPAC Name: 2,2'-(E)-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic acid]
CAS RN: 4404-43-7
Description: single chemical compound
STRUCTURE Formula: C40H44N12O10S2
Molecular Weight: 916.9818
SMILES: O=S(C1=CC(NC3=NC(NC4=CC=CC=C4)=NC(N(CCO)CCO)=N3)=CC=C1/C=C/C2=CC=C(NC5=NC(NC6=CC=CC=C6)=NC(N(CCO)CCO)=N5)C=C2S(=O)(O)=O)(O)=O
Note: C.I. Fluorescent brightening agent 28
Chemical Name: Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo-
IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide
CAS RN: 4433-79-8
Description: single chemical compound
STRUCTURE Formula: C12H14ClNO4
Molecular Weight: 271.6969
SMILES: O=C(NC1=C(OC)C=C(Cl)C(OC)=C1)CC(C)=O
Note: tautomers
Chemical Name: Octadecanoic acid, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
IUPAC Name: octadecanoic acid - 2,2',2''-nitrilotriethanol (1:1)
CAS RN: 4568-28-9
Description: single chemical compound
STRUCTURE Formula: C24H51NO5
Molecular Weight: 433.6654
SMILES: OCCN(CCO)CCO.OC(CCCCCCCCCCCCCCCCC)=O
Note: mixture of octadecanoic acid [57-11-4], triethanolamine [102-71-6] (1:1)
Chemical Name: Silane, (3-chloropropyl)triethoxy-
IUPAC Name: (3-chloropropyl)(triethoxy)silane
CAS RN: 5089-70-3
Description: single chemical compound
STRUCTURE Formula: C9H21ClO3Si
Molecular Weight: 240.7997
SMILES: ClCCC[Si](OCC)(OCC)OCC
Note:
Chemical Name: Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxo-
IUPAC Name: (2E,2'E)-2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)di(1E)hydrazin-2-yl-1-ylidene]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide]
CAS RN: 5102-83-0
Description: single chemical compound
STRUCTURE Formula: C36H34Cl2N6O4
Molecular Weight: 685.599
SMILES: O=C(NC2=C(C)C=C(C)C=C2)/C(C(C)=O)=N/NC3=C(Cl)C=C(C=C3)C1=CC(Cl)=C(N/N=C(C(C)=O)/C(NC4=C(C)C=C(C)C=C4)=O)C=C1
Note: tautomers, C.I. 21100
Chemical Name: Silane, trichlorooctyl-
IUPAC Name: trichloro(octyl)silane
CAS RN: 5283-66-9
Description: single chemical compound
STRUCTURE Formula: C8H17Cl3Si
Molecular Weight: 247.6651
SMILES: Cl[Si](Cl)(CCCCCCCC)Cl
Note:
Chemical Name: 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate
IUPAC Name: 3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl acetate
CAS RN: 5413-60-5
Description: single chemical compound
STRUCTURE Formula: C12H16O2
Molecular Weight: 192.2542
SMILES: O=C(C)OC2C3C1C(C(C3)C2)C=CC1
Note:
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