CAS RN: 40928-00-5
CAS Name: 2-propan-2-yloxy-1,3,2-dioxaphospholane
OPENEYE Name: 2-isopropoxy-1,3,2-dioxaphospholane
IUPAC Name: 2-propan-2-yloxy-1,3,2-dioxaphospholane
SYSTEMATIC NAME: 2-propan-2-yloxy-1,3,2-dioxaphospholane
MOLECULAR FORMULA: C5H11O3P
MOLECULAR WEIGHT: 150.112801
SMILES: CC(C)OP1OCCO1
Structure:
CAS RN: 40916-48-1
CAS Name: 9-methylenebicyclo[4.2.1]nonane
OPENEYE Name: 9-methylenebicyclo[4.2.1]nonane
IUPAC Name: 9-methylidenebicyclo[4.2.1]nonane
SYSTEMATIC NAME: 9-methylidenebicyclo[4.2.1]nonane
MOLECULAR FORMULA: C10H16
MOLECULAR WEIGHT: 136.23404
SMILES: C=C1C2CCCCC1CC2
Structure:
CAS RN: 40915-96-6
CAS Name: tridecaneperoxoic acid
OPENEYE Name: tridecaneperoxoic acid
IUPAC Name: tridecaneperoxoic acid
SYSTEMATIC NAME: tridecaneperoxoic acid
MOLECULAR FORMULA: C13H26O3
MOLECULAR WEIGHT: 230.34374
SMILES: CCCCCCCCCCCCC(=O)OO
Structure:
CAS RN: 40894-00-6
CAS Name: 3-bromo-2,2-dimethyl-1-propanol
OPENEYE Name: 3-bromo-2,2-dimethyl-propan-1-ol
IUPAC Name: 3-bromo-2,2-dimethylpropan-1-ol
SYSTEMATIC NAME: 3-bromanyl-2,2-dimethyl-propan-1-ol
MOLECULAR FORMULA: C5H11BrO
MOLECULAR WEIGHT: 167.04424
SMILES: CC(C)(CO)CBr
Structure:
CAS RN: 40893-99-0
CAS Name: 1-bromo-3-phenyl-2-propanol
OPENEYE Name: 1-bromo-3-phenyl-propan-2-ol
IUPAC Name: 1-bromo-3-phenylpropan-2-ol
SYSTEMATIC NAME: 1-bromanyl-3-phenyl-propan-2-ol
MOLECULAR FORMULA: C9H11BrO
MOLECULAR WEIGHT: 215.08704
SMILES: C1=CC=C(C=C1)CC(CBr)O
Structure:
CAS RN: 40832-99-3
CAS Name: 1-phenylazepane
OPENEYE Name: 1-phenylazepane
IUPAC Name: 1-phenylazepane
SYSTEMATIC NAME: 1-phenylazepane
MOLECULAR FORMULA: C12H17N
MOLECULAR WEIGHT: 175.27008
SMILES: C1CCCN(CC1)C2=CC=CC=C2
Structure:
CAS RN: 40827-30-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H18
MOLECULAR WEIGHT: 162.27132
SMILES: C1CC2CCC1C3(C24CC4)CC3
Structure:
CAS RN: 40827-29-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H16
MOLECULAR WEIGHT: 148.24474
SMILES: C1CC2CC1C3(C24CC4)CC3
Structure:
CAS RN: 40813-98-7
CAS Name: 2-ethyl-4,6-dimethylaniline
OPENEYE Name: 2-ethyl-4,6-dimethyl-aniline
IUPAC Name: 2-ethyl-4,6-dimethylaniline
SYSTEMATIC NAME: 2-ethyl-4,6-dimethyl-aniline
MOLECULAR FORMULA: C10H15N
MOLECULAR WEIGHT: 149.2328
SMILES: CCC1=CC(=CC(=C1N)C)C
Structure:
CAS RN: 40805-50-3
CAS Name: 4-(2-chloro-1-oxoethyl)benzonitrile
OPENEYE Name: 4-(2-chloroacetyl)benzonitrile
IUPAC Name: 4-(2-chloroacetyl)benzonitrile
SYSTEMATIC NAME: 4-(2-chloranylethanoyl)benzenecarbonitrile
MOLECULAR FORMULA: C9H6ClNO
MOLECULAR WEIGHT: 179.60304
SMILES: C1=CC(=CC=C1C#N)C(=O)CCl
Structure:
CAS RN: 40775-55-1
CAS Name: 1-methoxy-2-pyridinone
OPENEYE Name: 1-methoxypyridin-2-one
IUPAC Name: 1-methoxypyridin-2-one
SYSTEMATIC NAME: 1-methoxypyridin-2-one
MOLECULAR FORMULA: C6H7NO2
MOLECULAR WEIGHT: 125.12528
SMILES: CON1C=CC=CC1=O
Structure:
CAS RN: 40775-09-5
CAS Name: heneicosan-11-ylbenzene
OPENEYE Name: 1-decylundecylbenzene
IUPAC Name: henicosan-11-ylbenzene
SYSTEMATIC NAME: henicosan-11-ylbenzene
MOLECULAR FORMULA: C27H48
MOLECULAR WEIGHT: 372.67002
SMILES: CCCCCCCCCCC(CCCCCCCCCC)C1=CC=CC=C1
Structure:
CAS RN: 6703-80-6
CAS Name: heneicosan-11-ylbenzene
OPENEYE Name: 1-decylundecylbenzene
IUPAC Name: henicosan-11-ylbenzene
SYSTEMATIC NAME: henicosan-11-ylbenzene
MOLECULAR FORMULA: C27H48
MOLECULAR WEIGHT: 372.67002
SMILES: CCCCCCCCCCC(CCCCCCCCCC)C1=CC=CC=C1
Structure:
CAS RN: 40715-68-2
CAS Name: 1-methoxy-4-(3-phenylpropyl)benzene
OPENEYE Name: 1-methoxy-4-(3-phenylpropyl)benzene
IUPAC Name: 1-methoxy-4-(3-phenylpropyl)benzene
SYSTEMATIC NAME: 1-methoxy-4-(3-phenylpropyl)benzene
MOLECULAR FORMULA: C16H18O
MOLECULAR WEIGHT: 226.31352
SMILES: COC1=CC=C(C=C1)CCCC2=CC=CC=C2
Structure:
CAS RN: 40712-39-8
CAS Name: dideuteriodiazene
OPENEYE Name: dideuteriodiazene
IUPAC Name: dideuteriodiazene
SYSTEMATIC NAME: dideuteriodiazene
MOLECULAR FORMULA: H2N2
MOLECULAR WEIGHT: 32.041604
SMILES: [2H]N=N[2H]
Structure:
CAS RN: 66511-78-2
CAS Name: dideuteriodiazene
OPENEYE Name: dideuteriodiazene
IUPAC Name: dideuteriodiazene
SYSTEMATIC NAME: dideuteriodiazene
MOLECULAR FORMULA: H2N2
MOLECULAR WEIGHT: 32.041604
SMILES: [2H]N=N[2H]
Structure:
CAS RN: 40711-15-7
CAS Name: 1,3,3-trimethyldiaziridine
OPENEYE Name: 1,3,3-trimethyldiaziridine
IUPAC Name: 1,3,3-trimethyldiaziridine
SYSTEMATIC NAME: 1,3,3-trimethyl-1,2-diaziridine
MOLECULAR FORMULA: C4H10N2
MOLECULAR WEIGHT: 86.1356
SMILES: CC1(NN1C)C
Structure:
CAS RN: 40707-59-3
CAS Name: 1,2,3,4-tetrachloro-5,6-diiodobenzene
OPENEYE Name: 1,2,3,4-tetrachloro-5,6-diiodo-benzene
IUPAC Name: 1,2,3,4-tetrachloro-5,6-diiodobenzene
SYSTEMATIC NAME: 1,2,3,4-tetrakis(chloranyl)-5,6-bis(iodanyl)benzene
MOLECULAR FORMULA: C6Cl4I2
MOLECULAR WEIGHT: 467.68514
SMILES: C1(=C(C(=C(C(=C1Cl)I)I)Cl)Cl)Cl
Structure:
CAS RN: 40673-57-2
CAS Name: 1-methyl-4-[1,2,2-tris(4-methylphenyl)ethyl]benzene
OPENEYE Name: 1-methyl-4-[1,2,2-tris(p-tolyl)ethyl]benzene
IUPAC Name: 1-methyl-4-[1,2,2-tris(4-methylphenyl)ethyl]benzene
SYSTEMATIC NAME: 1-methyl-4-[1,2,2-tris(4-methylphenyl)ethyl]benzene
MOLECULAR FORMULA: C30H30
MOLECULAR WEIGHT: 390.5592
SMILES: CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)C(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C
Structure:
CAS RN: 40649-36-3
CAS Name: 4-propyl-1-cyclohexanone
OPENEYE Name: 4-propylcyclohexanone
IUPAC Name: 4-propylcyclohexan-1-one
SYSTEMATIC NAME: 4-propylcyclohexan-1-one
MOLECULAR FORMULA: C9H16O
MOLECULAR WEIGHT: 140.22274
SMILES: CCCC1CCC(=O)CC1
Structure:
CAS RN: 40649-26-1
CAS Name: N-cyclopentylaniline
OPENEYE Name: N-cyclopentylaniline
IUPAC Name: N-cyclopentylaniline
SYSTEMATIC NAME: N-cyclopentylaniline
MOLECULAR FORMULA: C11H15N
MOLECULAR WEIGHT: 161.2435
SMILES: C1CCC(C1)NC2=CC=CC=C2
Structure:
CAS RN: 40626-78-6
CAS Name: 2-methylhexane
OPENEYE Name: 2-methylhexane
IUPAC Name: 2-methylhexane
SYSTEMATIC NAME: 2-methylhexane
MOLECULAR FORMULA: C7H15
MOLECULAR WEIGHT: 99.194
SMILES: CCCC[C](C)C
Structure:
CAS RN: 40620-35-7
CAS Name: 2,3,3-trimethyl-2-(4-nitrophenyl)azobutanenitrile
OPENEYE Name: 2,3,3-trimethyl-2-(4-nitrophenyl)azo-butanenitrile
IUPAC Name: 2,3,3-trimethyl-2-[(4-nitrophenyl)diazenyl]butanenitrile
SYSTEMATIC NAME: 2,3,3-trimethyl-2-[(4-nitrophenyl)diazenyl]butanenitrile
MOLECULAR FORMULA: C13H16N4O2
MOLECULAR WEIGHT: 260.29174
SMILES: CC(C)(C)C(C)(C#N)N=NC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 40620-33-5
CAS Name: 2-(4-bromophenyl)azo-2,3,3-trimethylbutanenitrile
OPENEYE Name: 2-(4-bromophenyl)azo-2,3,3-trimethyl-butanenitrile
IUPAC Name: 2-[(4-bromophenyl)diazenyl]-2,3,3-trimethylbutanenitrile
SYSTEMATIC NAME: 2-[(4-bromophenyl)diazenyl]-2,3,3-trimethyl-butanenitrile
MOLECULAR FORMULA: C13H16BrN3
MOLECULAR WEIGHT: 294.19024
SMILES: CC(C)(C)C(C)(C#N)N=NC1=CC=C(C=C1)Br
Structure:
CAS RN: 40619-38-3
CAS Name: 4-bromo-3-propyloxane
OPENEYE Name: 4-bromo-3-propyl-tetrahydropyran
IUPAC Name: 4-bromo-3-propyloxane
SYSTEMATIC NAME: 4-bromanyl-3-propyl-oxane
MOLECULAR FORMULA: C8H15BrO
MOLECULAR WEIGHT: 207.1081
SMILES: CCCC1COCCC1Br
Structure:
CAS RN: 40613-93-2
CAS Name: N-$l^{2}-azanyl-N-methylmethanamine
OPENEYE Name: N-$l^{2}-azanyl-N-methyl-methanamine
IUPAC Name: N-$l^{2}-azanyl-N-methylmethanamine
SYSTEMATIC NAME: N-$l^{2}-azanyl-N-methyl-methanamine
MOLECULAR FORMULA: C2H7N2
MOLECULAR WEIGHT: 59.09038
SMILES: CN(C)[NH]
Structure:
CAS RN: 40589-39-7
CAS Name: 4-iodobut-1-en-3-yne
OPENEYE Name: 4-iodobut-1-en-3-yne
IUPAC Name: 4-iodobut-1-en-3-yne
SYSTEMATIC NAME: 4-iodanylbut-1-en-3-yne
MOLECULAR FORMULA: C4H3I
MOLECULAR WEIGHT: 177.97109
SMILES: C=CC#CI
Structure:
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