CAS RN: 98184-19-1
CAS Name: 2-chloro-5-methyl-1,3-di(propan-2-yl)benzene
OPENEYE Name: 2-chloro-1,3-diisopropyl-5-methyl-benzene
IUPAC Name: 2-chloro-5-methyl-1,3-di(propan-2-yl)benzene
SYSTEMATIC NAME: 2-chloranyl-5-methyl-1,3-di(propan-2-yl)benzene
MOLECULAR FORMULA: C13H19Cl
MOLECULAR WEIGHT: 210.74296
SMILES: CC1=CC(=C(C(=C1)C(C)C)Cl)C(C)C
Structure:
CAS RN: 98184-18-0
CAS Name: 1-chloro-4-methyl-2,5-di(propan-2-yl)benzene
OPENEYE Name: 1-chloro-2,5-diisopropyl-4-methyl-benzene
IUPAC Name: 1-chloro-4-methyl-2,5-di(propan-2-yl)benzene
SYSTEMATIC NAME: 1-chloranyl-4-methyl-2,5-di(propan-2-yl)benzene
MOLECULAR FORMULA: C13H19Cl
MOLECULAR WEIGHT: 210.74296
SMILES: CC1=CC(=C(C=C1C(C)C)Cl)C(C)C
Structure:
CAS RN: 98184-17-9
CAS Name: 5-chloro-2-methyl-1,3-di(propan-2-yl)benzene
OPENEYE Name: 5-chloro-1,3-diisopropyl-2-methyl-benzene
IUPAC Name: 5-chloro-2-methyl-1,3-di(propan-2-yl)benzene
SYSTEMATIC NAME: 5-chloranyl-2-methyl-1,3-di(propan-2-yl)benzene
MOLECULAR FORMULA: C13H19Cl
MOLECULAR WEIGHT: 210.74296
SMILES: CC1=C(C=C(C=C1C(C)C)Cl)C(C)C
Structure:
CAS RN: 98127-90-3
CAS Name: 3,3,6,6,9,9,12,12,15,15,18,18-dodecamethylcyclooctadeca-1,4,7,10,13,16-hexayne
OPENEYE Name: 3,3,6,6,9,9,12,12,15,15,18,18-dodecamethylcyclooctadeca-1,4,7,10,13,16-hexayne
IUPAC Name: 3,3,6,6,9,9,12,12,15,15,18,18-dodecamethylcyclooctadeca-1,4,7,10,13,16-hexayne
SYSTEMATIC NAME: 3,3,6,6,9,9,12,12,15,15,18,18-dodecamethylcyclooctadeca-1,4,7,10,13,16-hexayne
MOLECULAR FORMULA: C30H36
MOLECULAR WEIGHT: 396.60684
SMILES: CC1(C#CC(C#CC(C#CC(C#CC(C#CC(C#C1)(C)C)(C)C)(C)C)(C)C)(C)C)C
Structure:
CAS RN: 98041-44-2
CAS Name: 1-iodo-2-isothiocyanatobenzene
OPENEYE Name: 1-iodo-2-isothiocyanato-benzene
IUPAC Name: 1-iodo-2-isothiocyanatobenzene
SYSTEMATIC NAME: 1-iodanyl-2-isothiocyanato-benzene
MOLECULAR FORMULA: C7H4INS
MOLECULAR WEIGHT: 261.08283
SMILES: C1=CC=C(C(=C1)N=C=S)I
Structure:
CAS RN: 98028-64-9
CAS Name: 1-ethyl-1-[(1-ethylcyclohexyl)methyl]cyclohexane
OPENEYE Name: 1-ethyl-1-[(1-ethylcyclohexyl)methyl]cyclohexane
IUPAC Name: 1-ethyl-1-[(1-ethylcyclohexyl)methyl]cyclohexane
SYSTEMATIC NAME: 1-ethyl-1-[(1-ethylcyclohexyl)methyl]cyclohexane
MOLECULAR FORMULA: C17H32
MOLECULAR WEIGHT: 236.43598
SMILES: CCC1(CCCCC1)CC2(CCCCC2)CC
Structure:
CAS RN: 97877-72-0
CAS Name: 9-tert-butyl-9-azabicyclo[3.3.1]nonan-3-one
OPENEYE Name: 9-tert-butyl-9-azabicyclo[3.3.1]nonan-3-one
IUPAC Name: 9-tert-butyl-9-azabicyclo[3.3.1]nonan-3-one
SYSTEMATIC NAME: 9-tert-butyl-9-azabicyclo[3.3.1]nonan-3-one
MOLECULAR FORMULA: C12H21NO
MOLECULAR WEIGHT: 195.30124
SMILES: CC(C)(C)N1C2CCCC1CC(=O)C2
Structure:
CAS RN: 97812-31-2
CAS Name: 3-[dimethylamino(methyl)amino]propanenitrile
OPENEYE Name: 3-[dimethylamino(methyl)amino]propanenitrile
IUPAC Name: 3-[dimethylamino(methyl)amino]propanenitrile
SYSTEMATIC NAME: 3-[dimethylamino(methyl)amino]propanenitrile
MOLECULAR FORMULA: C6H13N3
MOLECULAR WEIGHT: 127.18752
SMILES: CN(C)N(C)CCC#N
Structure:
CAS RN: 97628-11-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: C1CC2CCC1C3C2C(=O)C3=O
Structure:
CAS RN: 97551-98-9
CAS Name: 1-methoxy-3-methylenecyclohexane
OPENEYE Name: 1-methoxy-3-methylene-cyclohexane
IUPAC Name: 1-methoxy-3-methylidenecyclohexane
SYSTEMATIC NAME: 1-methoxy-3-methylidene-cyclohexane
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: COC1CCCC(=C)C1
Structure:
CAS RN: 97253-51-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H12
MOLECULAR WEIGHT: 156.22368
SMILES: C1C2C=CC1C3=C2C4CC3C=C4
Structure:
CAS RN: 97806-44-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H12
MOLECULAR WEIGHT: 156.22368
SMILES: C1C2C=CC1C3=C2C4CC3C=C4
Structure:
CAS RN: 97245-28-8
CAS Name: 1,4-bis(4-fluorophenyl)butane-1,2,3,4-tetrone
OPENEYE Name: 1,4-bis(4-fluorophenyl)butane-1,2,3,4-tetrone
IUPAC Name: 1,4-bis(4-fluorophenyl)butane-1,2,3,4-tetrone
SYSTEMATIC NAME: 1,4-bis(4-fluorophenyl)butane-1,2,3,4-tetrone
MOLECULAR FORMULA: C16H8F2O4
MOLECULAR WEIGHT: 302.229126
SMILES: C1=CC(=CC=C1C(=O)C(=O)C(=O)C(=O)C2=CC=C(C=C2)F)F
Structure:
CAS RN: 97229-08-8
CAS Name: 1,4-diiodocubane
OPENEYE Name: 1,4-diiodocubane
IUPAC Name: 1,4-diiodocubane
SYSTEMATIC NAME: 1,4-bis(iodanyl)cubane
MOLECULAR FORMULA: C8H6I2
MOLECULAR WEIGHT: 355.94218
SMILES: C12C3C4C1(C5C2C3(C45)I)I
Structure:
CAS RN: 97229-07-7
CAS Name: 1,4-dichlorocubane
OPENEYE Name: 1,4-dichlorocubane
IUPAC Name: 1,4-dichlorocubane
SYSTEMATIC NAME: 1,4-bis(chloranyl)cubane
MOLECULAR FORMULA: C8H6Cl2
MOLECULAR WEIGHT: 173.03924
SMILES: C12C3C4C1(C5C2C3(C45)Cl)Cl
Structure:
CAS RN: 96943-88-3
CAS Name: 2-chloro-1-azabicyclo[2.2.2]octane
OPENEYE Name: 2-chloroquinuclidine
IUPAC Name: 2-chloro-1-azabicyclo[2.2.2]octane
SYSTEMATIC NAME: 2-chloranyl-1-azabicyclo[2.2.2]octane
MOLECULAR FORMULA: C7H12ClN
MOLECULAR WEIGHT: 145.62988
SMILES: C1CN2CCC1CC2Cl
Structure:
CAS RN: 96693-05-9
CAS Name: 1-bromo-4-octoxybenzene
OPENEYE Name: 1-bromo-4-octoxy-benzene
IUPAC Name: 1-bromo-4-octoxybenzene
SYSTEMATIC NAME: 1-bromanyl-4-octoxy-benzene
MOLECULAR FORMULA: C14H21BrO
MOLECULAR WEIGHT: 285.21994
SMILES: CCCCCCCCOC1=CC=C(C=C1)Br
Structure:
CAS RN: 96607-23-7
CAS Name: nitrous acid fluoro ester
OPENEYE Name: fluoro nitrite
IUPAC Name: fluoro nitrite
SYSTEMATIC NAME: fluoranyl nitrite
MOLECULAR FORMULA: FNO2
MOLECULAR WEIGHT: 65.003903
SMILES: N(=O)OF
Structure:
CAS RN: 96440-80-1
CAS Name: 3-tert-butyl-5-methyl-1H-pyrazole
OPENEYE Name: 3-tert-butyl-5-methyl-1H-pyrazole
IUPAC Name: 3-tert-butyl-5-methyl-1H-pyrazole
SYSTEMATIC NAME: 3-tert-butyl-5-methyl-1H-pyrazole
MOLECULAR FORMULA: C8H14N2
MOLECULAR WEIGHT: 138.21016
SMILES: CC1=CC(=NN1)C(C)(C)C
Structure:
CAS RN: 95764-76-4
CAS Name: 6-methyl-3-hept-6-en-4-ynol
OPENEYE Name: 6-methylhept-6-en-4-yn-3-ol
IUPAC Name: 6-methylhept-6-en-4-yn-3-ol
SYSTEMATIC NAME: 6-methylhept-6-en-4-yn-3-ol
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: CCC(C#CC(=C)C)O
Structure:
CAS RN: 95746-44-4
CAS Name: 11-cyclohexyldodecan-2-ylcyclohexane
OPENEYE Name: (10-cyclohexyl-1-methyl-undecyl)cyclohexane
IUPAC Name: 11-cyclohexyldodecan-2-ylcyclohexane
SYSTEMATIC NAME: 11-cyclohexyldodecan-2-ylcyclohexane
MOLECULAR FORMULA: C24H46
MOLECULAR WEIGHT: 334.62204
SMILES: CC(CCCCCCCCC(C)C1CCCCC1)C2CCCCC2
Structure:
CAS RN: 95642-53-8
CAS Name: 2-(4-bromophenyl)-6-hydroxy-1,3-thiazin-4-one
OPENEYE Name: 2-(4-bromophenyl)-6-hydroxy-1,3-thiazin-4-one
IUPAC Name: 2-(4-bromophenyl)-6-hydroxy-1,3-thiazin-4-one
SYSTEMATIC NAME: 2-(4-bromophenyl)-6-oxidanyl-1,3-thiazin-4-one
MOLECULAR FORMULA: C10H6BrNO2S
MOLECULAR WEIGHT: 284.12914
SMILES: C1=CC(=CC=C1C2=NC(=O)C=C(S2)O)Br
Structure:
CAS RN: 95642-52-7
CAS Name: 6-hydroxy-2-(4-methoxyphenyl)-1,3-thiazin-4-one
OPENEYE Name: 6-hydroxy-2-(4-methoxyphenyl)-1,3-thiazin-4-one
IUPAC Name: 6-hydroxy-2-(4-methoxyphenyl)-1,3-thiazin-4-one
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-6-oxidanyl-1,3-thiazin-4-one
MOLECULAR FORMULA: C11H9NO3S
MOLECULAR WEIGHT: 235.25906
SMILES: COC1=CC=C(C=C1)C2=NC(=O)C=C(S2)O
Structure:
CAS RN: 95642-51-6
CAS Name: 2-(3,4-dimethoxyphenyl)-6-hydroxy-1,3-thiazin-4-one
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-6-hydroxy-1,3-thiazin-4-one
IUPAC Name: 2-(3,4-dimethoxyphenyl)-6-hydroxy-1,3-thiazin-4-one
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-6-oxidanyl-1,3-thiazin-4-one
MOLECULAR FORMULA: C12H11NO4S
MOLECULAR WEIGHT: 265.28504
SMILES: COC1=C(C=C(C=C1)C2=NC(=O)C=C(S2)O)OC
Structure:
CAS RN: 95642-50-5
CAS Name: 2-[4-(dimethylamino)phenyl]-6-hydroxy-1,3-thiazin-4-one
OPENEYE Name: 2-[4-(dimethylamino)phenyl]-6-hydroxy-1,3-thiazin-4-one
IUPAC Name: 2-[4-(dimethylamino)phenyl]-6-hydroxy-1,3-thiazin-4-one
SYSTEMATIC NAME: 2-[4-(dimethylamino)phenyl]-6-oxidanyl-1,3-thiazin-4-one
MOLECULAR FORMULA: C12H12N2O2S
MOLECULAR WEIGHT: 248.30088
SMILES: CN(C)C1=CC=C(C=C1)C2=NC(=O)C=C(S2)O
Structure:
CAS RN: 95552-76-4
CAS Name: tert-butyl(tert-butylimino)phosphine
OPENEYE Name: tert-butyl(tert-butylimino)phosphane
IUPAC Name: tert-butyl(tert-butylimino)phosphane
SYSTEMATIC NAME: tert-butyl(tert-butylimino)phosphane
MOLECULAR FORMULA: C8H18NP
MOLECULAR WEIGHT: 159.208981
SMILES: CC(C)(C)N=PC(C)(C)C
Structure:
CAS RN: 95540-87-7
CAS Name: 3-ethenylpenta-1,3-diene
OPENEYE Name: 3-vinylpenta-1,3-diene
IUPAC Name: 3-ethenylpenta-1,3-diene
SYSTEMATIC NAME: 3-ethenylpenta-1,3-diene
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: CC=C(C=C)C=C
Structure:
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