Chemical Name: Ethane, 1,1,1,2-tetrafluoro-
IUPAC Name: 1,1,1,2-tetrafluoroethane
CAS RN: 811-97-2
Description: single chemical compound
STRUCTURE Formula: C2H2F4
Molecular Weight: 102.0309
SMILES: FCC(F)(F)F
Note:
Chemical Name: 2-Naphthalenesulfonic acid, 6-hydroxy-, monopotassium salt
IUPAC Name: potassium 6-hydroxynaphthalene-2-sulfonate
CAS RN: 833-66-9
Description: single chemical compound
STRUCTURE Formula: C10H7KO4S
Molecular Weight: 262.3235
SMILES: O=S(C2=CC1=C(C=C2)C=C(O)C=C1)([O-])=O.[K+]
Note: parent [93-01-6]
Chemical Name: 2,6-Naphthalenedicarboxylic acid, dimethyl ester
IUPAC Name: dimethyl naphthalene-2,6-dicarboxylate
CAS RN: 840-65-3
Description: single chemical compound
STRUCTURE Formula: C14H12O4
Molecular Weight: 244.2427
SMILES: O=C(OC)C2=CC1=C(C=C2)C=C(C(OC)=O)C=C1
Note:
Chemical Name: Ethanamine, 2-chloro-N,N-diethyl-, hydrochloride
IUPAC Name: 2-chloro-N,N-diethylethanamine hydrochloride
CAS RN: 869-24-9
Description: single chemical compound
STRUCTURE Formula: C6H15Cl2N
Molecular Weight: 172.096
SMILES: ClCCN(CC)CC.Cl
Note: parent [100-35-6]
Chemical Name: Ethanol, 2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-
IUPAC Name: 2,2'-[propane-2,2-diylbis(4,1-phenyleneoxy)]diethanol
CAS RN: 901-44-0
Description: single chemical compound
STRUCTURE Formula: C19H24O4
Molecular Weight: 316.3915
SMILES: OCCOC(C=C2)=CC=C2C(C1=CC=C(OCCO)C=C1)(C)C
Note:
Chemical Name: Butanal, 2-methylene-
IUPAC Name: 2-methylenebutanal
CAS RN: 922-63-4
Description: single chemical compound
STRUCTURE Formula: C5H8O
Molecular Weight: 84.1164
SMILES: O=CC(CC)=C
Note:
Chemical Name: Docosanoic acid, methyl ester
IUPAC Name: methyl docosanoate
CAS RN: 929-77-1
Description: single chemical compound
STRUCTURE Formula: C23H46O2
Molecular Weight: 354.6101
SMILES: O=C(OC)CCCCCCCCCCCCCCCCCCCCC
Note:
Chemical Name: Pyridine, 2-methyl-, 1-oxide
IUPAC Name: 2-methylpyridine 1-oxide
CAS RN: 931-19-1
Description: single chemical compound
STRUCTURE Formula: C6H7NO
Molecular Weight: 109.1259
SMILES: [O-][N+]1=CC=CC=C1C
Note:
Chemical Name: Piperidine, 1,1'-(hexathiodicarbonothioyl)bis-
IUPAC Name: 1,1'-(hexasulfane-1,6-diyldicarbonothioyl)dipiperidine
CAS RN: 971-15-3
Description: single chemical compound
STRUCTURE Formula: C12H20N2S8
Molecular Weight: 448.8206
SMILES: S=C(N1CCCCC1)SSSSSSC(=S)N1CCCCC1
Note:
Chemical Name: Butane, 2-methoxy-2-methyl-
IUPAC Name: 1,1-dimethylpropyl methyl ether
CAS RN: 994-05-8
Description: single chemical compound
STRUCTURE Formula: C6H14O
Molecular Weight: 102.1748
SMILES: COC(C)(C)CC
Note:
Chemical Name: Stannane, butyltrichloro-
IUPAC Name: butyl(trichloro)stannane
CAS RN: 1118-46-3
Description: single chemical compound
STRUCTURE Formula: C4H9Cl3Sn
Molecular Weight: 282.1833
SMILES: Cl[Sn](Cl)(Cl)CCCC
Note:
Chemical Name: 2,6-Naphthalenedicarboxylic acid
IUPAC Name: naphthalene-2,6-dicarboxylic acid
CAS RN: 1141-38-4
Description: single chemical compound
STRUCTURE Formula: C12H8O4
Molecular Weight: 216.1895
SMILES: O=C(O)C2=CC1=C(C=C2)C=C(C(O)=O)C=C1
Note:
Chemical Name: Benzenesulfonic acid, hydroxy-, monosodium salt
IUPAC Name: sodium 2-hydroxybenzenesulfonate
CAS RN: 1300-51-2
Description: mixture or formulation
STRUCTURE Formula: C6H5NaO4S
Molecular Weight: 196.1563
SMILES: O=S(C1=CC=CC=C1O)([O-])=O.[Na+]
Note: mixture of o-, m-, and para isomers, structure shown o-
Chemical Name: C.I. Sulphur Black 1
IUPAC Name:
CAS RN: 1326-82-5
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note: C.I. 53185
Chemical Name: Ionone, methyl-
IUPAC Name: (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
CAS RN: 1335-46-2
Description: mixture or formulation
STRUCTURE Formula: C14H22O
Molecular Weight: 206.3239
SMILES: CCC(/C=C/C1C(C)=CCCC(C)1C)=O
Note: mixture of alpha, beta and gamma isomers and their Z,E isomers, structure shown alpha-E, stereochem
Chemical Name: 1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-
IUPAC Name: 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1(3H)-one
CAS RN: 1552-42-7
Description: single chemical compound
STRUCTURE Formula: C26H29N3O2
Molecular Weight: 415.5274
SMILES: CN(C)c1ccc(cc1)C3(OC(=O)c2cc(ccc23)N(C)C)c4ccc(cc4)N(C)C
Note:
Chemical Name: Propanoic acid, cobalt(2+) salt
IUPAC Name: cobalt(2+) dipropanoate
CAS RN: 1560-69-6
Description: single chemical compound
STRUCTURE Formula: C6H10CoO4
Molecular Weight: 205.0744
SMILES: O=C([O-])CC.O=C([O-])CC.[Co+2]
Note: parent [79-09-4]
Chemical Name: 2-Propanol, 1-propoxy-
IUPAC Name: 1-propoxypropan-2-ol
CAS RN: 1569-01-3
Description: single chemical compound
STRUCTURE Formula: C6H14O2
Molecular Weight: 118.1742
SMILES: OC(C)COCCC
Note:
Chemical Name: Benzene, 1-bromo-4-ethyl-
IUPAC Name: 1-bromo-4-ethylbenzene
CAS RN: 1585-07-5
Description: single chemical compound
STRUCTURE Formula: C8H9Br
Molecular Weight: 185.0611
SMILES: BrC1=CC=C(CC)C=C1
Note:
Chemical Name: 1-Docosene
IUPAC Name: docos-1-ene
CAS RN: 1599-67-3
Description: single chemical compound
STRUCTURE Formula: C22H44
Molecular Weight: 308.5848
SMILES: C=CCCCCCCCCCCCCCCCCCCCC
Note:
Chemical Name: 2-Pyridinamine, 5-methyl-
IUPAC Name: 5-methylpyridin-2-amine
CAS RN: 1603-41-4
Description: single chemical compound
STRUCTURE Formula: C6H8N2
Molecular Weight: 108.1411
SMILES: NC1=CC=C(C)C=N1
Note:
Chemical Name: 2-Pyridinecarboxylic acid, 3,6-dichloro-
IUPAC Name: 3,6-dichloropyridine-2-carboxylic acid
CAS RN: 1702-17-6
Description: single chemical compound
STRUCTURE Formula: C6H3Cl2NO2
Molecular Weight: 191.9995
SMILES: O=C(O)C1=C(Cl)C=CC(Cl)=N1
Note:
Chemical Name: Ethane, 1,1-dichloro-1-fluoro-
IUPAC Name: 1,1-dichloro-1-fluoroethane
CAS RN: 1717-00-6
Description: single chemical compound
STRUCTURE Formula: C2H3Cl2F
Molecular Weight: 116.9496
SMILES: CC(Cl)(Cl)F
Note:
Chemical Name: Benzene, 1,1'-ethylidenebis[3,4-dimethyl-
IUPAC Name: 1,1'-ethane-1,1-diylbis(3,4-dimethylbenzene)
CAS RN: 1742-14-9
Description: single chemical compound
STRUCTURE Formula: C18H22
Molecular Weight: 238.3673
SMILES: CC(C2=CC=C(C)C(C)=C2)C1=CC=C(C)C(C)=C1
Note:
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