CAS RN: 3509-46-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C7H9Cl
MOLECULAR WEIGHT: 128.59936
SMILES: C1C2CC3C1C3C2Cl
Structure:
CAS RN: 3496-32-0
CAS Name: 2-phenylethenone
OPENEYE Name: 2-phenylethenone
IUPAC Name: 2-phenylethenone
SYSTEMATIC NAME: 2-phenylethenone
MOLECULAR FORMULA: C8H6O
MOLECULAR WEIGHT: 118.13264
SMILES: C1=CC=C(C=C1)C=C=O
Structure:
CAS RN: 3492-47-5
CAS Name: 1,3-bis(diethylamino)-2-propanol
OPENEYE Name: 1,3-bis(diethylamino)propan-2-ol
IUPAC Name: 1,3-bis(diethylamino)propan-2-ol
SYSTEMATIC NAME: 1,3-bis(diethylamino)propan-2-ol
MOLECULAR FORMULA: C11H26N2O
MOLECULAR WEIGHT: 202.33694
SMILES: CCN(CC)CC(CN(CC)CC)O
Structure:
CAS RN: 3491-36-9
CAS Name: 2,5-dihydroperoxy-2,5-dimethyl-3-hexyne
OPENEYE Name: 2,5-dihydroperoxy-2,5-dimethyl-hex-3-yne
IUPAC Name: 2,5-dihydroperoxy-2,5-dimethylhex-3-yne
SYSTEMATIC NAME: 2,5-bis(dioxidanyl)-2,5-dimethyl-hex-3-yne
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: CC(C)(C#CC(C)(C)OO)OO
Structure:
CAS RN: 70833-41-9
CAS Name: 2,5-dihydroperoxy-2,5-dimethyl-3-hexyne
OPENEYE Name: 2,5-dihydroperoxy-2,5-dimethyl-hex-3-yne
IUPAC Name: 2,5-dihydroperoxy-2,5-dimethylhex-3-yne
SYSTEMATIC NAME: 2,5-bis(dioxidanyl)-2,5-dimethyl-hex-3-yne
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: CC(C)(C#CC(C)(C)OO)OO
Structure:
CAS RN: 3478-74-8
CAS Name: 2,3,5,6,7,8-hexamethyl-2,3,5,6,7,8-hexaza-1,4-diphosphabicyclo[2.2.2]octane
OPENEYE Name: 2,3,5,6,7,8-hexamethyl-2,3,5,6,7,8-hexaza-1,4-diphosphabicyclo[2.2.2]octane
IUPAC Name: 2,3,5,6,7,8-hexamethyl-2,3,5,6,7,8-hexaza-1,4-diphosphabicyclo[2.2.2]octane
SYSTEMATIC NAME: 2,3,5,6,7,8-hexamethyl-2,3,5,6,7,8-hexaza-1,4-diphosphabicyclo[2.2.2]octane
MOLECULAR FORMULA: C6H18N6P2
MOLECULAR WEIGHT: 236.194842
SMILES: CN1N(P2N(N(P1N(N2C)C)C)C)C
Structure:
CAS RN: 3474-30-4
CAS Name: heptane
OPENEYE Name: heptane
IUPAC Name: heptane
SYSTEMATIC NAME: heptane
MOLECULAR FORMULA: C7H15
MOLECULAR WEIGHT: 99.194
SMILES: CCCCC[CH]C
Structure:
CAS RN: 3471-13-4
CAS Name: 3-hydroxy-5,5-dimethyl-1-cyclohex-2-enone
OPENEYE Name: 3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one
IUPAC Name: 3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C8H12O2
MOLECULAR WEIGHT: 140.17968
SMILES: CC1(CC(=CC(=O)C1)O)C
Structure:
CAS RN: 3470-96-0
CAS Name: 1-butylpyrrolidine-2,5-dione
OPENEYE Name: 1-butylpyrrolidine-2,5-dione
IUPAC Name: 1-butylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-butylpyrrolidine-2,5-dione
MOLECULAR FORMULA: C8H13NO2
MOLECULAR WEIGHT: 155.19432
SMILES: CCCCN1C(=O)CCC1=O
Structure:
CAS RN: 3469-17-8
CAS Name: 2-diazonio-1,2-diphenylethenolate
OPENEYE Name: 2-diazonio-1,2-diphenyl-ethenolate
IUPAC Name: 2-diazonio-1,2-diphenylethenolate
SYSTEMATIC NAME: 2-diazonio-1,2-diphenyl-ethenolate
MOLECULAR FORMULA: C14H10N2O
MOLECULAR WEIGHT: 222.242
SMILES: C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[O-])[N+]#N
Structure:
CAS RN: 3469-06-5
CAS Name: 7-bicyclo[4.2.0]octa-1,3,5-trienone
OPENEYE Name: bicyclo[4.2.0]octa-1,3,5-trien-7-one
IUPAC Name: bicyclo[4.2.0]octa-1,3,5-trien-7-one
SYSTEMATIC NAME: bicyclo[4.2.0]octa-1,3,5-trien-7-one
MOLECULAR FORMULA: C8H6O
MOLECULAR WEIGHT: 118.13264
SMILES: C1C2=CC=CC=C2C1=O
Structure:
CAS RN: 3465-99-4
CAS Name: tellurolane
OPENEYE Name: tellurolane
IUPAC Name: tellurolane
SYSTEMATIC NAME: tellurolane
MOLECULAR FORMULA: C4H8Te
MOLECULAR WEIGHT: 183.70632
SMILES: C1CC[Te]C1
Structure:
CAS RN: 3465-98-3
CAS Name: selenolane
OPENEYE Name: selenolane
IUPAC Name: selenolane
SYSTEMATIC NAME: selenolane
MOLECULAR FORMULA: C4H8Se
MOLECULAR WEIGHT: 135.06632
SMILES: C1CC[Se]C1
Structure:
CAS RN: 3463-81-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H12
MOLECULAR WEIGHT: 132.20228
SMILES: C1CC23CC2(C1)C=CC=C3
Structure:
CAS RN: 3463-79-4
CAS Name: 1a,7b-dihydro-1H-cyclopropa[a]naphthalene
OPENEYE Name: 1a,7b-dihydro-1H-cyclopropa[a]naphthalene
IUPAC Name: 1a,7b-dihydro-1H-cyclopropa[a]naphthalene
SYSTEMATIC NAME: 1a,7b-dihydro-1H-cyclopropa[a]naphthalene
MOLECULAR FORMULA: C11H10
MOLECULAR WEIGHT: 142.1971
SMILES: C1C2C1C3=CC=CC=C3C=C2
Structure:
CAS RN: 3463-35-2
CAS Name: 1,4-ditert-butyl-2-nitrobenzene
OPENEYE Name: 1,4-ditert-butyl-2-nitro-benzene
IUPAC Name: 1,4-ditert-butyl-2-nitrobenzene
SYSTEMATIC NAME: 1,4-ditert-butyl-2-nitro-benzene
MOLECULAR FORMULA: C14H21NO2
MOLECULAR WEIGHT: 235.32204
SMILES: CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)[N+](=O)[O-]
Structure:
CAS RN: 3463-27-2
CAS Name: 1-methyl-5-phenylpyrazole
OPENEYE Name: 1-methyl-5-phenyl-pyrazole
IUPAC Name: 1-methyl-5-phenylpyrazole
SYSTEMATIC NAME: 1-methyl-5-phenyl-pyrazole
MOLECULAR FORMULA: C10H10N2
MOLECULAR WEIGHT: 158.1998
SMILES: CN1C(=CC=N1)C2=CC=CC=C2
Structure:
CAS RN: 3463-26-1
CAS Name: 1-methyl-3-phenylpyrazole
OPENEYE Name: 1-methyl-3-phenyl-pyrazole
IUPAC Name: 1-methyl-3-phenylpyrazole
SYSTEMATIC NAME: 1-methyl-3-phenyl-pyrazole
MOLECULAR FORMULA: C10H10N2
MOLECULAR WEIGHT: 158.1998
SMILES: CN1C=CC(=N1)C2=CC=CC=C2
Structure:
CAS RN: 3461-39-0
CAS Name: 3-phenylbutanoic acid methyl ester
OPENEYE Name: methyl 3-phenylbutanoate
IUPAC Name: methyl 3-phenylbutanoate
SYSTEMATIC NAME: methyl 3-phenylbutanoate
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC(CC(=O)OC)C1=CC=CC=C1
Structure:
CAS RN: 3459-88-9
CAS Name: 4-phenoxybutoxybenzene
OPENEYE Name: 4-phenoxybutoxybenzene
IUPAC Name: 4-phenoxybutoxybenzene
SYSTEMATIC NAME: 4-phenoxybutoxybenzene
MOLECULAR FORMULA: C16H18O2
MOLECULAR WEIGHT: 242.31292
SMILES: C1=CC=C(C=C1)OCCCCOC2=CC=CC=C2
Structure:
CAS RN: 3459-83-4
CAS Name: 1,3-diethoxypropane
OPENEYE Name: 1,3-diethoxypropane
IUPAC Name: 1,3-diethoxypropane
SYSTEMATIC NAME: 1,3-diethoxypropane
MOLECULAR FORMULA: C7H16O2
MOLECULAR WEIGHT: 132.20074
SMILES: CCOCCCOCC
Structure:
CAS RN: 3457-92-9
CAS Name: nitric acid 5-nitrooxypentyl ester
OPENEYE Name: 5-nitrooxypentyl nitrate
IUPAC Name: 5-nitrooxypentyl nitrate
SYSTEMATIC NAME: 5-nitrooxypentyl nitrate
MOLECULAR FORMULA: C5H10N2O6
MOLECULAR WEIGHT: 194.1427
SMILES: C(CCO[N+](=O)[O-])CCO[N+](=O)[O-]
Structure:
CAS RN: 3453-99-4
CAS Name: 2,2-dimethoxybutane
OPENEYE Name: 2,2-dimethoxybutane
IUPAC Name: 2,2-dimethoxybutane
SYSTEMATIC NAME: 2,2-dimethoxybutane
MOLECULAR FORMULA: C6H14O2
MOLECULAR WEIGHT: 118.17416
SMILES: CCC(C)(OC)OC
Structure:
CAS RN: 30154-99-5
CAS Name: cyclodeca-1,2,6,7-tetraene
OPENEYE Name: cyclodeca-1,2,6,7-tetraene
IUPAC Name: cyclodeca-1,2,6,7-tetraene
SYSTEMATIC NAME: cyclodeca-1,2,6,7-tetraene
MOLECULAR FORMULA: C10H12
MOLECULAR WEIGHT: 132.20228
SMILES: C1CC=C=CCCC=C=C1
Structure:
CAS RN: 3451-55-6
CAS Name: cyclodeca-1,2,6,7-tetraene
OPENEYE Name: cyclodeca-1,2,6,7-tetraene
IUPAC Name: cyclodeca-1,2,6,7-tetraene
SYSTEMATIC NAME: cyclodeca-1,2,6,7-tetraene
MOLECULAR FORMULA: C10H12
MOLECULAR WEIGHT: 132.20228
SMILES: C1CC=C=CCCC=C=C1
Structure:
CAS RN: 3443-83-2
CAS Name: tetradecanoic acid 1,3-dihydroxypropan-2-yl ester
OPENEYE Name: [2-hydroxy-1-(hydroxymethyl)ethyl] tetradecanoate
IUPAC Name: 1,3-dihydroxypropan-2-yl tetradecanoate
SYSTEMATIC NAME: 1,3-bis(oxidanyl)propan-2-yl tetradecanoate
MOLECULAR FORMULA: C17H34O4
MOLECULAR WEIGHT: 302.44946
SMILES: CCCCCCCCCCCCCC(=O)OC(CO)CO
Structure:
CAS RN: 3439-38-1
CAS Name: ethyl(trimethyl)silane
OPENEYE Name: ethyl(trimethyl)silane
IUPAC Name: ethyl(trimethyl)silane
SYSTEMATIC NAME: ethyl(trimethyl)silane
MOLECULAR FORMULA: C5H14Si
MOLECULAR WEIGHT: 102.25016
SMILES: CC[Si](C)(C)C
Structure:
CAS RN: 3430-27-1
CAS Name: 4-methyl-3-pyridinamine
OPENEYE Name: 4-methylpyridin-3-amine
IUPAC Name: 4-methylpyridin-3-amine
SYSTEMATIC NAME: 4-methylpyridin-3-amine
MOLECULAR FORMULA: C6H8N2
MOLECULAR WEIGHT: 108.14112
SMILES: CC1=C(C=NC=C1)N
Structure:
CAS RN: 3430-21-5
CAS Name: 5-bromo-3-methyl-2-pyridinamine
OPENEYE Name: 5-bromo-3-methyl-pyridin-2-amine
IUPAC Name: 5-bromo-3-methylpyridin-2-amine
SYSTEMATIC NAME: 5-bromanyl-3-methyl-pyridin-2-amine
MOLECULAR FORMULA: C6H7BrN2
MOLECULAR WEIGHT: 187.03718
SMILES: CC1=CC(=CN=C1N)Br
Structure:
CAS RN: 3430-09-9
CAS Name: phenyl(2-pyrazinyl)methanone
OPENEYE Name: phenyl(pyrazin-2-yl)methanone
IUPAC Name: phenyl(pyrazin-2-yl)methanone
SYSTEMATIC NAME: phenyl(pyrazin-2-yl)methanone
MOLECULAR FORMULA: C11H8N2O
MOLECULAR WEIGHT: 184.19402
SMILES: C1=CC=C(C=C1)C(=O)C2=NC=CN=C2
Structure:
CAS RN: 3429-52-5
CAS Name: trimethyl(propan-2-yl)silane
OPENEYE Name: isopropyl(trimethyl)silane
IUPAC Name: trimethyl(propan-2-yl)silane
SYSTEMATIC NAME: trimethyl(propan-2-yl)silane
MOLECULAR FORMULA: C6H16Si
MOLECULAR WEIGHT: 116.27674
SMILES: CC(C)[Si](C)(C)C
Structure:
CAS RN: 3422-07-9
CAS Name: 1-methyl-1-(1-methylethenyl)cyclopropane
OPENEYE Name: 1-isopropenyl-1-methyl-cyclopropane
IUPAC Name: 1-methyl-1-prop-1-en-2-ylcyclopropane
SYSTEMATIC NAME: 1-methyl-1-prop-1-en-2-yl-cyclopropane
MOLECULAR FORMULA: C7H12
MOLECULAR WEIGHT: 96.17018
SMILES: CC(=C)C1(CC1)C
Structure:
CAS RN: 3422-01-3
CAS Name: N-phenylcarbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-phenylcarbamate
IUPAC Name: tert-butyl N-phenylcarbamate
SYSTEMATIC NAME: tert-butyl N-phenylcarbamate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CC(C)(C)OC(=O)NC1=CC=CC=C1
Structure:
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