Chemical Name: Hexadecane
IUPAC Name: hexadecane
CAS RN: 544-76-3
Description: single chemical compound
STRUCTURE Formula: C16H34
Molecular Weight: 226.4412
SMILES: CCCCCCCCCCCCCCCC
Note:
Chemical Name: 2-Propanol, titanium(4+) salt
IUPAC Name: titanium(4+) tetrapropan-2-olate
CAS RN: 546-68-9
Description: single chemical compound
STRUCTURE Formula: C12H28O4Ti
Molecular Weight: 284.2153
SMILES: CC(O[Ti](OC(C)C)(OC(C)C)OC(C)C)C
Note:
Chemical Name: Propanoic acid, 2-hydroxy-, methyl ester
IUPAC Name: methyl 2-hydroxypropanoate
CAS RN: 547-64-8
Description: single chemical compound
STRUCTURE Formula: C4H8O3
Molecular Weight: 104.1045
SMILES: O=C(OC)C(O)C
Note:
Chemical Name: 1H-Isoindole-1,3(2H)-dione, 2-methyl-
IUPAC Name: 2-methyl-1H-isoindole-1,3(2H)-dione
CAS RN: 550-44-7
Description: single chemical compound
STRUCTURE Formula: C9H7NO2
Molecular Weight: 161.1574
SMILES: O=C1C2=C(C=CC=C2)C(N1C)=O
Note:
Chemical Name: 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-
IUPAC Name: 1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylic acid
CAS RN: 552-30-7
Description: single chemical compound
STRUCTURE Formula: C9H4O5
Molecular Weight: 192.1251
SMILES: O=C1OC(=O)c2ccc(cc12)C(=O)O
Note:
Chemical Name: 4,4'-Bipyridine
IUPAC Name: 4,4'-bipyridine
CAS RN: 553-26-4
Description: single chemical compound
STRUCTURE Formula: C10H8N2
Molecular Weight: 156.1839
SMILES: C1(C2=CC=NC=C2)=CC=NC=C1
Note:
Chemical Name: Propanoic acid, methyl ester
IUPAC Name: methyl propionate
CAS RN: 554-12-1
Description: single chemical compound
STRUCTURE Formula: C4H8O2
Molecular Weight: 88.1051
SMILES: O=C(OC)CC
Note:
Chemical Name: 2-Propanol, aluminum salt
IUPAC Name: aluminum tripropan-2-olate
CAS RN: 555-31-7
Description: single chemical compound
STRUCTURE Formula: C9H21AlO3
Molecular Weight: 204.2428
SMILES: [O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[Al+3]
Note:
Chemical Name: Ethanol, aluminum salt
IUPAC Name: aluminum triethanolate
CAS RN: 555-75-9
Description: single chemical compound
STRUCTURE Formula: C6H15AlO3
Molecular Weight: 162.163
SMILES: [O-]CC.[O-]CC.[O-]CC.[Al+3]
Note:
Chemical Name: Methane, isothiocyanato-
IUPAC Name: (methylimino)(thioxo)methane
CAS RN: 556-61-6
Description: single chemical compound
STRUCTURE Formula: C2H3NS
Molecular Weight: 73.1169
SMILES: S=C=NC
Note:
Chemical Name: Cyclotetrasiloxane, octamethyl-
IUPAC Name: 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane
CAS RN: 556-67-2
Description: single chemical compound
STRUCTURE Formula: C8H24O4Si4
Molecular Weight: 296.6158
SMILES: C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
Note:
Chemical Name: 2-Buten-1-ol, 3-methyl-
IUPAC Name: 3-methylbut-2-en-1-ol
CAS RN: 556-82-1
Description: single chemical compound
STRUCTURE Formula: C5H10O
Molecular Weight: 86.1323
SMILES: OC/C=C(C)/C
Note:
Chemical Name: Guanidine, nitro-
IUPAC Name: N-nitroguanidine
CAS RN: 556-88-7
Description: single chemical compound
STRUCTURE Formula: CH4N4O2
Molecular Weight: 104.0681
SMILES: NC(=N)N[N+]([O-])=O
Note: tautomers
Chemical Name: Octadecanoic acid, magnesium salt
IUPAC Name: magnesium dioctadecanoate
CAS RN: 557-04-0
Description: single chemical compound
STRUCTURE Formula: C36H70MgO4
Molecular Weight: 591.2436
SMILES: O=C([O-])CCCCCCCCCCCCCCCCC.O=C([O-])CCCCCCCCCCCCCCCCC.[Mg+2]
Note: parent [57-11-4]
Chemical Name: Octadecanoic acid, zinc salt
IUPAC Name: zinc dioctadecanoate
CAS RN: 557-05-1
Description: single chemical compound
STRUCTURE Formula: C36H70O4Zn
Molecular Weight: 632.3476
SMILES: O=C([O-])CCCCCCCCCCCCCCCCC.O=C([O-])CCCCCCCCCCCCCCCCC.[Zn+2]
Note: parent [57-11-4]
Chemical Name: 1-Octacosanol
IUPAC Name: 1-Octacosanol
CAS RN: 557-61-9
Description: single chemical compound
STRUCTURE Formula: C28H58O
Molecular Weight: 410.7595
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Note:
Chemical Name: 1-Butene, 3,3-dimethyl-
IUPAC Name: 3,3-dimethylbut-1-ene
CAS RN: 558-37-2
Description: single chemical compound
STRUCTURE Formula: C6H12
Molecular Weight: 84.1595
SMILES: CC(C)(C)C=C
Note:
Chemical Name: Aluminum, dichloroethyl-
IUPAC Name: dichloro(ethyl)aluminum
CAS RN: 563-43-9
Description: single chemical compound
STRUCTURE Formula: C2H5AlCl2
Molecular Weight: 126.9486
SMILES: Cl[Al](CC)Cl
Note:
Chemical Name: 1-Propene, 3-chloro-2-methyl-
IUPAC Name: 3-chloro-2-methylprop-1-ene
CAS RN: 563-47-3
Description: single chemical compound
STRUCTURE Formula: C4H7Cl
Molecular Weight: 90.5514
SMILES: CC(=C)CCl
Note:
Chemical Name: Ethanedioic acid, calcium salt (1:1)
IUPAC Name: calcium oxalate
CAS RN: 563-72-4
Description: single chemical compound
STRUCTURE Formula: C2CaO4
Molecular Weight: 128.097
SMILES: O=C([O-])C([O-])=O.[Ca+2]
Note: parent [144-62-7]
Chemical Name: 2-Butanone, 3-methyl-
IUPAC Name: 3-methylbutan-2-one
CAS RN: 563-80-4
Description: single chemical compound
STRUCTURE Formula: C5H10O
Molecular Weight: 86.1323
SMILES: CC(=O)C(C)C
Note:
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