CAS RN: 2493-57-4
CAS Name: 3,5-dichlorobenzenesulfonic acid phenyl ester
OPENEYE Name: phenyl 3,5-dichlorobenzenesulfonate
IUPAC Name: phenyl 3,5-dichlorobenzenesulfonate
SYSTEMATIC NAME: phenyl 3,5-bis(chloranyl)benzenesulfonate
MOLECULAR FORMULA: C12H8Cl2O3S
MOLECULAR WEIGHT: 303.16112
SMILES: C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=CC(=C2)Cl)Cl
Structure:
CAS RN: 2493-44-9
CAS Name: hexane
OPENEYE Name: hexane
IUPAC Name: hexane
SYSTEMATIC NAME: hexane
MOLECULAR FORMULA: C6H13
MOLECULAR WEIGHT: 85.16742
SMILES: CCCC[CH]C
Structure:
CAS RN: 2492-74-2
CAS Name: ethenesulfenic acid
OPENEYE Name: hydroxysulfanylethylene
IUPAC Name: hydroxysulfanylethene
SYSTEMATIC NAME: oxidanylsulfanylethene
MOLECULAR FORMULA: C2H4OS
MOLECULAR WEIGHT: 76.11756
SMILES: C=CSO
Structure:
CAS RN: 2492-36-6
CAS Name: butane
OPENEYE Name: butane
IUPAC Name: butane
SYSTEMATIC NAME: butane
MOLECULAR FORMULA: C4H9
MOLECULAR WEIGHT: 57.11426
SMILES: CCC[CH2]
Structure:
CAS RN: 2492-34-4
CAS Name: pentane
OPENEYE Name: pentane
IUPAC Name: pentane
SYSTEMATIC NAME: pentane
MOLECULAR FORMULA: C5H11
MOLECULAR WEIGHT: 71.14084
SMILES: CCC[CH]C
Structure:
CAS RN: 2792-39-4
CAS Name: 2,6-dimethylocta-2,6-diene
OPENEYE Name: 2,6-dimethylocta-2,6-diene
IUPAC Name: 2,6-dimethylocta-2,6-diene
SYSTEMATIC NAME: 2,6-dimethylocta-2,6-diene
MOLECULAR FORMULA: C10H18
MOLECULAR WEIGHT: 138.24992
SMILES: CC=C(C)CCC=C(C)C
Structure:
CAS RN: 2609-23-6
CAS Name: 2,6-dimethylocta-2,6-diene
OPENEYE Name: 2,6-dimethylocta-2,6-diene
IUPAC Name: 2,6-dimethylocta-2,6-diene
SYSTEMATIC NAME: 2,6-dimethylocta-2,6-diene
MOLECULAR FORMULA: C10H18
MOLECULAR WEIGHT: 138.24992
SMILES: CC=C(C)CCC=C(C)C
Structure:
CAS RN: 2491-31-8
CAS Name: 1-(2-hydroxyphenyl)-2-phenylethanone
OPENEYE Name: 1-(2-hydroxyphenyl)-2-phenyl-ethanone
IUPAC Name: 1-(2-hydroxyphenyl)-2-phenylethanone
SYSTEMATIC NAME: 1-(2-hydroxyphenyl)-2-phenyl-ethanone
MOLECULAR FORMULA: C14H12O2
MOLECULAR WEIGHT: 212.24388
SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=CC=C2O
Structure:
CAS RN: 2484-16-4
CAS Name: 6,8-dimethyl-7-benzo[7]annulenone
OPENEYE Name: 6,8-dimethylbenzo[7]annulen-7-one
IUPAC Name: 6,8-dimethylbenzo[7]annulen-7-one
SYSTEMATIC NAME: 6,8-dimethylbenzo[7]annulen-7-one
MOLECULAR FORMULA: C13H12O
MOLECULAR WEIGHT: 184.23378
SMILES: CC1=CC2=CC=CC=C2C=C(C1=O)C
Structure:
CAS RN: 2471-92-3
CAS Name: 1,3-dihydro-2-benzothiophene
OPENEYE Name: 1,3-dihydro-2-benzothiophene
IUPAC Name: 1,3-dihydro-2-benzothiophene
SYSTEMATIC NAME: 1,3-dihydro-2-benzothiophene
MOLECULAR FORMULA: C8H8S
MOLECULAR WEIGHT: 136.21412
SMILES: C1C2=CC=CC=C2CS1
Structure:
CAS RN: 2470-85-1
CAS Name: 1-(9H-fluoren-9-yl)-2-propanone
OPENEYE Name: 1-(9H-fluoren-9-yl)propan-2-one
IUPAC Name: 1-(9H-fluoren-9-yl)propan-2-one
SYSTEMATIC NAME: 1-(9H-fluoren-9-yl)propan-2-one
MOLECULAR FORMULA: C16H14O
MOLECULAR WEIGHT: 222.28176
SMILES: CC(=O)CC1C2=CC=CC=C2C3=CC=CC=C13
Structure:
CAS RN: 2461-40-7
CAS Name: butanoic acid 2-oxiranylmethyl ester
OPENEYE Name: oxiran-2-ylmethyl butanoate
IUPAC Name: oxiran-2-ylmethyl butanoate
SYSTEMATIC NAME: oxiran-2-ylmethyl butanoate
MOLECULAR FORMULA: C7H12O3
MOLECULAR WEIGHT: 144.16838
SMILES: CCCC(=O)OCC1CO1
Structure:
CAS RN: 2459-25-8
CAS Name: 2-naphthalenecarboxylic acid methyl ester
OPENEYE Name: methyl naphthalene-2-carboxylate
IUPAC Name: methyl naphthalene-2-carboxylate
SYSTEMATIC NAME: methyl naphthalene-2-carboxylate
MOLECULAR FORMULA: C12H10O2
MOLECULAR WEIGHT: 186.2066
SMILES: COC(=O)C1=CC2=CC=CC=C2C=C1
Structure:
CAS RN: 2456-43-1
CAS Name: 1,2-dicyclohexylcyclohexane
OPENEYE Name: 1,2-dicyclohexylcyclohexane
IUPAC Name: 1,2-dicyclohexylcyclohexane
SYSTEMATIC NAME: 1,2-dicyclohexylcyclohexane
MOLECULAR FORMULA: C18H32
MOLECULAR WEIGHT: 248.44668
SMILES: C1CCC(CC1)C2CCCCC2C3CCCCC3
Structure:
CAS RN: 2443-46-1
CAS Name: bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
OPENEYE Name: bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
IUPAC Name: bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
SYSTEMATIC NAME: bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
MOLECULAR FORMULA: C11H10
MOLECULAR WEIGHT: 142.1971
SMILES: C1C2=CC=CC=C1C=CC=C2
Structure:
CAS RN: 2439-79-4
CAS Name: 6-methylbicyclo[4.1.0]heptane
OPENEYE Name: 1-methylnorcarane
IUPAC Name: 6-methylbicyclo[4.1.0]heptane
SYSTEMATIC NAME: 6-methylbicyclo[4.1.0]heptane
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: CC12CCCCC1C2
Structure:
CAS RN: 2438-05-3
CAS Name: 4-propylbenzoic acid
OPENEYE Name: 4-propylbenzoic acid
IUPAC Name: 4-propylbenzoic acid
SYSTEMATIC NAME: 4-propylbenzoic acid
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CCCC1=CC=C(C=C1)C(=O)O
Structure:
CAS RN: 2437-76-5
CAS Name: 2-bromo-1-methyl-4-propan-2-ylbenzene
OPENEYE Name: 2-bromo-4-isopropyl-1-methyl-benzene
IUPAC Name: 2-bromo-1-methyl-4-propan-2-ylbenzene
SYSTEMATIC NAME: 2-bromanyl-1-methyl-4-propan-2-yl-benzene
MOLECULAR FORMULA: C10H13Br
MOLECULAR WEIGHT: 213.11422
SMILES: CC1=C(C=C(C=C1)C(C)C)Br
Structure:
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