Chemical Name: 2-Butene, (2E)-
IUPAC Name: (2E)-but-2-ene
CAS RN: 624-64-6
Description: single chemical compound
STRUCTURE Formula: C4H8
Molecular Weight: 56.1063
SMILES: C/C=C/C
Note: stereochem
Chemical Name: Methane, isocyanato-
IUPAC Name: (methylimino)(oxo)methane
CAS RN: 624-83-9
Description: single chemical compound
STRUCTURE Formula: C2H3NO
Molecular Weight: 57.0513
SMILES: CN=C=O
Note:
Chemical Name: Disulfide, dimethyl
IUPAC Name: dimethyl disulfide
CAS RN: 624-92-0
Description: single chemical compound
STRUCTURE Formula: C2H6S2
Molecular Weight: 94.199
SMILES: S(C)SC
Note:
Chemical Name: Formic acid, 1-methylethyl ester
IUPAC Name: isopropyl formate
CAS RN: 625-55-8
Description: single chemical compound
STRUCTURE Formula: C4H8O2
Molecular Weight: 88.1051
SMILES: O=COC(C)C
Note:
Chemical Name: 1,3-Benzenedicarbonitrile
IUPAC Name: isophthalonitrile
CAS RN: 626-17-5
Description: single chemical compound
STRUCTURE Formula: C8H4N2
Molecular Weight: 128.1308
SMILES: N#CC1=CC=CC(C#N)=C1
Note:
Chemical Name: Octadecanoic acid, 1,2-ethanediyl ester
IUPAC Name: ethane-1,2-diyl dioctadecanoate
CAS RN: 627-83-8
Description: single chemical compound
STRUCTURE Formula: C38H74O4
Molecular Weight: 594.9918
SMILES: O=C(OCCOC(CCCCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCCC
Note:
Chemical Name: Hexanedioic acid, dimethyl ester
IUPAC Name: dimethyl adipate
CAS RN: 627-93-0
Description: single chemical compound
STRUCTURE Formula: C8H14O4
Molecular Weight: 174.1944
SMILES: C(CCCC(=O)OC)C(=O)OC
Note:
Chemical Name: Pyridine, hydrochloride
IUPAC Name: pyridine hydrochloride
CAS RN: 628-13-7
Description: single chemical compound
STRUCTURE Formula: C5H6ClN
Molecular Weight: 115.5608
SMILES: Cl.N1=CC=CC=C1
Note:
Chemical Name: Acetic acid, pentyl ester
IUPAC Name: pentyl acetate
CAS RN: 628-63-7
Description: single chemical compound
STRUCTURE Formula: C7H14O2
Molecular Weight: 130.1849
SMILES: O=C(C)OCCCCC
Note:
Chemical Name: 1,2-Ethanediol, dinitrate
IUPAC Name: ethane-1,2-diyl dinitrate
CAS RN: 628-96-6
Description: single chemical compound
STRUCTURE Formula: C2H4N2O6
Molecular Weight: 152.063
SMILES: [O-][N+](OCCO[N+]([O-])=O)=O
Note:
Chemical Name: 1,6-Hexanediol
IUPAC Name: hexane-1,6-diol
CAS RN: 629-11-8
Description: single chemical compound
STRUCTURE Formula: C6H14O2
Molecular Weight: 118.1742
SMILES: OCCCCCCO
Note:
Chemical Name: Tridecane
IUPAC Name: tridecane
CAS RN: 629-50-5
Description: single chemical compound
STRUCTURE Formula: C13H28
Molecular Weight: 184.3614
SMILES: CCCCCCCCCCCCC
Note:
Chemical Name: Tetradecane
IUPAC Name: tetradecane
CAS RN: 629-59-4
Description: single chemical compound
STRUCTURE Formula: C14H30
Molecular Weight: 198.388
SMILES: CCCCCCCCCCCCCC
Note:
Chemical Name: Pentadecane
IUPAC Name: pentadecane
CAS RN: 629-62-9
Description: single chemical compound
STRUCTURE Formula: C15H32
Molecular Weight: 212.4146
SMILES: CCCCCCCCCCCCCCC
Note:
Chemical Name: 1-Hexadecene
IUPAC Name: hexadec-1-ene
CAS RN: 629-73-2
Description: single chemical compound
STRUCTURE Formula: C16H32
Molecular Weight: 224.4253
SMILES: C=CCCCCCCCCCCCCCC
Note:
Chemical Name: 1-Pentadecanol
IUPAC Name: pentadecan-1-ol
CAS RN: 629-76-5
Description: single chemical compound
STRUCTURE Formula: C15H32O
Molecular Weight: 228.414
SMILES: OCCCCCCCCCCCCCCC
Note:
Chemical Name: Hexadecanenitrile
IUPAC Name: palmitonitrile
CAS RN: 629-79-8
Description: single chemical compound
STRUCTURE Formula: C16H31N
Molecular Weight: 237.424
SMILES: N#CCCCCCCCCCCCCCCC
Note:
Chemical Name: 1-Eicosanol
IUPAC Name: icosan-1-ol
CAS RN: 629-96-9
Description: single chemical compound
STRUCTURE Formula: C20H42O
Molecular Weight: 298.5469
SMILES: OCCCCCCCCCCCCCCCCCCCC
Note:
Chemical Name: Carbon monoxide
IUPAC Name: carbon monooxide
CAS RN: 630-08-0
Description: single chemical compound
STRUCTURE Formula: CO
Molecular Weight: 28.0101
SMILES: [O+]#[C-]
Note:
Chemical Name: Ethane, 1,1,1,2-tetrachloro-
IUPAC Name: 1,1,1,2-tetrachloroethane
CAS RN: 630-20-6
Description: single chemical compound
STRUCTURE Formula: C2H2Cl4
Molecular Weight: 167.8493
SMILES: ClC(CCl)(Cl)Cl
Note:
Chemical Name: 1,3-Isobenzofurandione, 4,5,6,7-tetrabromo-
IUPAC Name: 4,5,6,7-tetrabromo-2-benzofuran-1,3-dione
CAS RN: 632-79-1
Description: single chemical compound
STRUCTURE Formula: C8Br4O3
Molecular Weight: 463.6998
SMILES: O=C(OC(=O)c1c(c(c(c2Br)Br)Br)Br)c12
Note:
Chemical Name: Benzene, 1,2,3,4-tetrachloro-
IUPAC Name: 1,2,3,4-tetrachlorobenzene
CAS RN: 634-66-2
Description: single chemical compound
STRUCTURE Formula: C6H2Cl4
Molecular Weight: 215.8921
SMILES: Clc1c(Cl)ccc(Cl)c1Cl
Note:
Chemical Name: 1,3-Benzenedicarboxylic acid, diethyl ester
IUPAC Name: diethyl isophthalate
CAS RN: 636-53-3
Description: single chemical compound
STRUCTURE Formula: C12H14O4
Molecular Weight: 222.2372
SMILES: O=C(OCC)C1=CC=CC(C(OCC)=O)=C1
Note:
Chemical Name: Octadecanoic acid, aluminum salt
IUPAC Name: aluminum trioctadecanoate
CAS RN: 637-12-7
Description: single chemical compound
STRUCTURE Formula: C54H105AlO6
Molecular Weight: 877.3894
SMILES: O=C([O-])CCCCCCCCCCCCCCCCC.O=C([O-])CCCCCCCCCCCCCCCCC.O=C([O-])CCCCCCCCCCCCCCCCC.[Al+3]
Note: parent [57-11-4]
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