CAS RN: 4694-17-1
CAS Name: 5,5-dimethyl-1-cyclohex-2-enone
OPENEYE Name: 5,5-dimethylcyclohex-2-en-1-one
IUPAC Name: 5,5-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 5,5-dimethylcyclohex-2-en-1-one
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: CC1(CC=CC(=O)C1)C
Structure:
CAS RN: 4693-47-4
CAS Name: 2-(2-cyano-5-hydroxypentan-2-yl)azo-5-hydroxy-2-methylpentanenitrile
OPENEYE Name: 2-(1-cyano-4-hydroxy-1-methyl-butyl)azo-5-hydroxy-2-methyl-pentanenitrile
IUPAC Name: 2-[(2-cyano-5-hydroxypentan-2-yl)diazenyl]-5-hydroxy-2-methylpentanenitrile
SYSTEMATIC NAME: 2-[(2-cyano-5-oxidanyl-pentan-2-yl)diazenyl]-2-methyl-5-oxidanyl-pentanenitrile
MOLECULAR FORMULA: C12H20N4O2
MOLECULAR WEIGHT: 252.3128
SMILES: CC(CCCO)(C#N)N=NC(C)(CCCO)C#N
Structure:
CAS RN: 4685-74-9
CAS Name: bicyclo[8.2.2]tetradeca-1(12),10,13-triene
OPENEYE Name: bicyclo[8.2.2]tetradeca-1(12),10,13-triene
IUPAC Name: bicyclo[8.2.2]tetradeca-1(12),10,13-triene
SYSTEMATIC NAME: bicyclo[8.2.2]tetradeca-1(12),10,13-triene
MOLECULAR FORMULA: C14H20
MOLECULAR WEIGHT: 188.3086
SMILES: C1CCCCC2=CC=C(CCC1)C=C2
Structure:
CAS RN: 4683-45-8
CAS Name: 3-methoxy-5,5-dimethyl-1-cyclohex-2-enone
OPENEYE Name: 3-methoxy-5,5-dimethyl-cyclohex-2-en-1-one
IUPAC Name: 3-methoxy-5,5-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-methoxy-5,5-dimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C9H14O2
MOLECULAR WEIGHT: 154.20626
SMILES: CC1(CC(=CC(=O)C1)OC)C
Structure:
CAS RN: 4670-86-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H12
MOLECULAR WEIGHT: 252.30928
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C4C3=C2C5=CC=CC=C54
Structure:
CAS RN: 4670-10-4
CAS Name: 2-(3,5-dimethoxyphenyl)acetic acid
OPENEYE Name: 2-(3,5-dimethoxyphenyl)acetic acid
IUPAC Name: 2-(3,5-dimethoxyphenyl)acetic acid
SYSTEMATIC NAME: 2-(3,5-dimethoxyphenyl)ethanoic acid
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: COC1=CC(=CC(=C1)CC(=O)O)OC
Structure:
CAS RN: 4667-38-3
CAS Name: dichloro(diethoxy)silane
OPENEYE Name: dichloro(diethoxy)silane
IUPAC Name: dichloro(diethoxy)silane
SYSTEMATIC NAME: bis(chloranyl)-diethoxy-silane
MOLECULAR FORMULA: C4H10Cl2O2Si
MOLECULAR WEIGHT: 189.1125
SMILES: CCO[Si](OCC)(Cl)Cl
Structure:
CAS RN: 4646-69-9
CAS Name: bicyclo[4.1.0]hepta-1,3,5-triene
OPENEYE Name: bicyclo[4.1.0]hepta-1,3,5-triene
IUPAC Name: bicyclo[4.1.0]hepta-1,3,5-triene
SYSTEMATIC NAME: bicyclo[4.1.0]hepta-1,3,5-triene
MOLECULAR FORMULA: C7H6
MOLECULAR WEIGHT: 90.12254
SMILES: C1C2=CC=CC=C21
Structure:
CAS RN: 4641-78-5
CAS Name: tricosa-1,8,15,22-tetrayne
OPENEYE Name: tricosa-1,8,15,22-tetrayne
IUPAC Name: tricosa-1,8,15,22-tetrayne
SYSTEMATIC NAME: tricosa-1,8,15,22-tetrayne
MOLECULAR FORMULA: C23H32
MOLECULAR WEIGHT: 308.50018
SMILES: C#CCCCCCC#CCCCCCC#CCCCCCC#C
Structure:
CAS RN: 4640-66-8
CAS Name: 3-(4-chlorophenyl)-3-oxopropanenitrile
OPENEYE Name: 3-(4-chlorophenyl)-3-oxo-propanenitrile
IUPAC Name: 3-(4-chlorophenyl)-3-oxopropanenitrile
SYSTEMATIC NAME: 3-(4-chlorophenyl)-3-oxidanylidene-propanenitrile
MOLECULAR FORMULA: C9H6ClNO
MOLECULAR WEIGHT: 179.60304
SMILES: C1=CC(=CC=C1C(=O)CC#N)Cl
Structure:
CAS RN: 4636-16-2
CAS Name: 2-iodo-1-phenylethanone
OPENEYE Name: 2-iodo-1-phenyl-ethanone
IUPAC Name: 2-iodo-1-phenylethanone
SYSTEMATIC NAME: 2-iodanyl-1-phenyl-ethanone
MOLECULAR FORMULA: C8H7IO
MOLECULAR WEIGHT: 246.04505
SMILES: C1=CC=C(C=C1)C(=O)CI
Structure:
CAS RN: 4630-83-5
CAS Name: 1-methyl-1-cyclopentanecarboxylic acid methyl ester
OPENEYE Name: methyl 1-methylcyclopentanecarboxylate
IUPAC Name: methyl 1-methylcyclopentane-1-carboxylate
SYSTEMATIC NAME: methyl 1-methylcyclopentane-1-carboxylate
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: CC1(CCCC1)C(=O)OC
Structure:
CAS RN: 4625-24-5
CAS Name: 5-methylbicyclo[3.1.0]hexane
OPENEYE Name: 5-methylbicyclo[3.1.0]hexane
IUPAC Name: 5-methylbicyclo[3.1.0]hexane
SYSTEMATIC NAME: 5-methylbicyclo[3.1.0]hexane
MOLECULAR FORMULA: C7H12
MOLECULAR WEIGHT: 96.17018
SMILES: CC12CCCC1C2
Structure:
CAS RN: 4605-17-8
CAS Name: 1,1,2-trifluoroethene
OPENEYE Name: 1,1,2-trifluoroethylene
IUPAC Name: 1,1,2-trifluoroethene
SYSTEMATIC NAME: 1,1,2-tris(fluoranyl)ethene
MOLECULAR FORMULA: C2F3
MOLECULAR WEIGHT: 81.01661
SMILES: [C](=C(F)F)F
Structure:
CAS RN: 4598-47-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C4H7O2
MOLECULAR WEIGHT: 87.09718
SMILES: C1CO[CH]CO1
Structure:
CAS RN: 4592-97-6
CAS Name: 2,3,5-trichloro-6-methylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,3,5-trichloro-6-methyl-1,4-benzoquinone
IUPAC Name: 2,3,5-trichloro-6-methylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,3,5-tris(chloranyl)-6-methyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C7H3Cl3O2
MOLECULAR WEIGHT: 225.45652
SMILES: CC1=C(C(=O)C(=C(C1=O)Cl)Cl)Cl
Structure:
CAS RN: 4590-52-7
CAS Name: 7-fluoro-3,4-dihydro-1H-quinolin-2-one
OPENEYE Name: 7-fluoro-3,4-dihydro-1H-quinolin-2-one
IUPAC Name: 7-fluoro-3,4-dihydro-1H-quinolin-2-one
SYSTEMATIC NAME: 7-fluoranyl-3,4-dihydro-1H-quinolin-2-one
MOLECULAR FORMULA: C9H8FNO
MOLECULAR WEIGHT: 165.164323
SMILES: C1CC(=O)NC2=C1C=CC(=C2)F
Structure:
CAS RN: 4580-43-2
CAS Name: hexadeca-1,8,15-triyne
OPENEYE Name: hexadeca-1,8,15-triyne
IUPAC Name: hexadeca-1,8,15-triyne
SYSTEMATIC NAME: hexadeca-1,8,15-triyne
MOLECULAR FORMULA: C16H22
MOLECULAR WEIGHT: 214.34588
SMILES: C#CCCCCCC#CCCCCCC#C
Structure:
CAS RN: 4579-03-7
CAS Name: 3,5,8-trioxa-1,4-diphosphabicyclo[2.2.2]octane
OPENEYE Name: 3,5,8-trioxa-1,4-diphosphabicyclo[2.2.2]octane
IUPAC Name: 3,5,8-trioxa-1,4-diphosphabicyclo[2.2.2]octane
SYSTEMATIC NAME: 3,5,8-trioxa-1,4-diphosphabicyclo[2.2.2]octane
MOLECULAR FORMULA: C3H6O3P2
MOLECULAR WEIGHT: 152.025462
SMILES: C1OP2OCP1CO2
Structure:
CAS RN: 4573-09-5
CAS Name: 2,2,5-trimethyl-1-cyclopentanone
OPENEYE Name: 2,2,5-trimethylcyclopentanone
IUPAC Name: 2,2,5-trimethylcyclopentan-1-one
SYSTEMATIC NAME: 2,2,5-trimethylcyclopentan-1-one
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CC1CCC(C1=O)(C)C
Structure:
CAS RN: 4573-05-1
CAS Name: 1,3-dimethylcyclohexa-1,3-diene
OPENEYE Name: 1,3-dimethylcyclohexa-1,3-diene
IUPAC Name: 1,3-dimethylcyclohexa-1,3-diene
SYSTEMATIC NAME: 1,3-dimethylcyclohexa-1,3-diene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: CC1=CC(=CCC1)C
Structure:
CAS RN: 4572-17-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H10
MOLECULAR WEIGHT: 130.1864
SMILES: C12C3C4C1C5C2C6C3C4C56
Structure:
CAS RN: 4558-27-4
CAS Name: 5-bromo-1-hexene
OPENEYE Name: 5-bromohex-1-ene
IUPAC Name: 5-bromohex-1-ene
SYSTEMATIC NAME: 5-bromanylhex-1-ene
MOLECULAR FORMULA: C6H11Br
MOLECULAR WEIGHT: 163.05554
SMILES: CC(CCC=C)Br
Structure:
CAS RN: 4554-22-7
CAS Name: methyl-methylene-diphenylphosphorane
OPENEYE Name: methyl-methylene-diphenyl-$l^{5}-phosphane
IUPAC Name: methyl-methylidene-diphenyl-$l^{5}-phosphane
SYSTEMATIC NAME: methyl-methylidene-diphenyl-$l^{5}-phosphane
MOLECULAR FORMULA: C14H15P
MOLECULAR WEIGHT: 214.242661
SMILES: CP(=C)(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 4548-06-5
CAS Name: cyclobutane
OPENEYE Name: cyclobutane
IUPAC Name: cyclobutane
SYSTEMATIC NAME: cyclobutane
MOLECULAR FORMULA: C4H7
MOLECULAR WEIGHT: 55.09838
SMILES: C1C[CH]C1
Structure:
CAS RN: 4544-26-7
CAS Name: 7-(2-methylprop-1-enylidene)bicyclo[4.1.0]heptane
OPENEYE Name: 7-(2-methylprop-1-enylidene)norcarane
IUPAC Name: 7-(2-methylprop-1-enylidene)bicyclo[4.1.0]heptane
SYSTEMATIC NAME: 7-(2-methylprop-1-enylidene)bicyclo[4.1.0]heptane
MOLECULAR FORMULA: C11H16
MOLECULAR WEIGHT: 148.24474
SMILES: CC(=C=C1C2C1CCCC2)C
Structure:
CAS RN: 4544-23-4
CAS Name: [2-(2-methylprop-1-enylidene)cyclopropyl]benzene
OPENEYE Name: [2-(2-methylprop-1-enylidene)cyclopropyl]benzene
IUPAC Name: [2-(2-methylprop-1-enylidene)cyclopropyl]benzene
SYSTEMATIC NAME: [2-(2-methylprop-1-enylidene)cyclopropyl]benzene
MOLECULAR FORMULA: C13H14
MOLECULAR WEIGHT: 170.25026
SMILES: CC(=C=C1CC1C2=CC=CC=C2)C
Structure:
CAS RN: 4542-61-4
CAS Name: dimethoxyborane
OPENEYE Name: dimethoxyborane
IUPAC Name: dimethoxyborane
SYSTEMATIC NAME: dimethoxyborane
MOLECULAR FORMULA: C2H7BO2
MOLECULAR WEIGHT: 73.88678
SMILES: B(OC)OC
Structure:
CAS RN: 4541-35-9
CAS Name: 2,2,5,5-tetramethyl-1-cyclopentanone
OPENEYE Name: 2,2,5,5-tetramethylcyclopentanone
IUPAC Name: 2,2,5,5-tetramethylcyclopentan-1-one
SYSTEMATIC NAME: 2,2,5,5-tetramethylcyclopentan-1-one
MOLECULAR FORMULA: C9H16O
MOLECULAR WEIGHT: 140.22274
SMILES: CC1(CCC(C1=O)(C)C)C
Structure:
CAS RN: 4541-32-6
CAS Name: 2,2-dimethyl-1-cyclopentanone
OPENEYE Name: 2,2-dimethylcyclopentanone
IUPAC Name: 2,2-dimethylcyclopentan-1-one
SYSTEMATIC NAME: 2,2-dimethylcyclopentan-1-one
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: CC1(CCCC1=O)C
Structure:
CAS RN: 4538-39-0
CAS Name: 1,10-diisocyanatodecane
OPENEYE Name: 1,10-diisocyanatodecane
IUPAC Name: 1,10-diisocyanatodecane
SYSTEMATIC NAME: 1,10-diisocyanatodecane
MOLECULAR FORMULA: C12H20N2O2
MOLECULAR WEIGHT: 224.2994
SMILES: C(CCCCCN=C=O)CCCCN=C=O
Structure:
CAS RN: 4537-05-7
CAS Name: 1-methyl-2-[(2-methylphenyl)thio]benzene
OPENEYE Name: 1-methyl-2-(o-tolylsulfanyl)benzene
IUPAC Name: 1-methyl-2-(2-methylphenyl)sulfanylbenzene
SYSTEMATIC NAME: 1-methyl-2-(2-methylphenyl)sulfanyl-benzene
MOLECULAR FORMULA: C14H14S
MOLECULAR WEIGHT: 214.32596
SMILES: CC1=CC=CC=C1SC2=CC=CC=C2C
Structure:
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