CAS RN: 3168-90-9
CAS Name: 1-(2-methyl-1-cyclopentenyl)ethanone
OPENEYE Name: 1-(2-methylcyclopenten-1-yl)ethanone
IUPAC Name: 1-(2-methylcyclopenten-1-yl)ethanone
SYSTEMATIC NAME: 1-(2-methylcyclopenten-1-yl)ethanone
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: CC1=C(CCC1)C(=O)C
Structure:
CAS RN: 3167-69-9
CAS Name: N-diethoxyphosphoryl-N-ethylethanamine
OPENEYE Name: N-diethoxyphosphoryl-N-ethyl-ethanamine
IUPAC Name: N-diethoxyphosphoryl-N-ethylethanamine
SYSTEMATIC NAME: N-diethoxyphosphoryl-N-ethyl-ethanamine
MOLECULAR FORMULA: C8H20NO3P
MOLECULAR WEIGHT: 209.223061
SMILES: CCN(CC)P(=O)(OCC)OCC
Structure:
CAS RN: 3164-73-6
CAS Name: 1-(nitromethyl)-1-cyclohexanol
OPENEYE Name: 1-(nitromethyl)cyclohexanol
IUPAC Name: 1-(nitromethyl)cyclohexan-1-ol
SYSTEMATIC NAME: 1-(nitromethyl)cyclohexan-1-ol
MOLECULAR FORMULA: C7H13NO3
MOLECULAR WEIGHT: 159.18302
SMILES: C1CCC(CC1)(C[N+](=O)[O-])O
Structure:
CAS RN: 3163-27-7
CAS Name: 1-(bromomethyl)naphthalene
OPENEYE Name: 1-(bromomethyl)naphthalene
IUPAC Name: 1-(bromomethyl)naphthalene
SYSTEMATIC NAME: 1-(bromomethyl)naphthalene
MOLECULAR FORMULA: C11H9Br
MOLECULAR WEIGHT: 221.09316
SMILES: C1=CC=C2C(=C1)C=CC=C2CBr
Structure:
CAS RN: 3161-99-7
CAS Name: hexa-1,3,5-triyne
OPENEYE Name: hexa-1,3,5-triyne
IUPAC Name: hexa-1,3,5-triyne
SYSTEMATIC NAME: hexa-1,3,5-triyne
MOLECULAR FORMULA: C6H2
MOLECULAR WEIGHT: 74.08008
SMILES: C#CC#CC#C
Structure:
CAS RN: 3153-33-1
CAS Name: 4-chlorobutanoic acid butyl ester
OPENEYE Name: butyl 4-chlorobutanoate
IUPAC Name: butyl 4-chlorobutanoate
SYSTEMATIC NAME: butyl 4-chloranylbutanoate
MOLECULAR FORMULA: C8H15ClO2
MOLECULAR WEIGHT: 178.6565
SMILES: CCCCOC(=O)CCCCl
Structure:
CAS RN: 3145-76-4
CAS Name: (2-methylcyclopropyl)benzene
OPENEYE Name: (2-methylcyclopropyl)benzene
IUPAC Name: (2-methylcyclopropyl)benzene
SYSTEMATIC NAME: (2-methylcyclopropyl)benzene
MOLECULAR FORMULA: C10H12
MOLECULAR WEIGHT: 132.20228
SMILES: CC1CC1C2=CC=CC=C2
Structure:
CAS RN: 3143-08-6
CAS Name: benzene-1,2,4,5-tetracarboxylic acid tetrapropyl ester
OPENEYE Name: tetrapropyl benzene-1,2,4,5-tetracarboxylate
IUPAC Name: tetrapropyl benzene-1,2,4,5-tetracarboxylate
SYSTEMATIC NAME: tetrapropyl benzene-1,2,4,5-tetracarboxylate
MOLECULAR FORMULA: C22H30O8
MOLECULAR WEIGHT: 422.4688
SMILES: CCCOC(=O)C1=CC(=C(C=C1C(=O)OCCC)C(=O)OCCC)C(=O)OCCC
Structure:
CAS RN: 3143-02-0
CAS Name: (3-methyl-3-oxetanyl)methanol
OPENEYE Name: (3-methyloxetan-3-yl)methanol
IUPAC Name: (3-methyloxetan-3-yl)methanol
SYSTEMATIC NAME: (3-methyloxetan-3-yl)methanol
MOLECULAR FORMULA: C5H10O2
MOLECULAR WEIGHT: 102.1317
SMILES: CC1(COC1)CO
Structure:
CAS RN: 3135-63-5
CAS Name: N-[chloro(trifluoromethyl)phosphino]-N-methylmethanamine
OPENEYE Name: N-[chloro(trifluoromethyl)phosphanyl]-N-methyl-methanamine
IUPAC Name: N-[chloro(trifluoromethyl)phosphanyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[chloranyl(trifluoromethyl)phosphanyl]-N-methyl-methanamine
MOLECULAR FORMULA: C3H6ClF3NP
MOLECULAR WEIGHT: 179.508411
SMILES: CN(C)P(C(F)(F)F)Cl
Structure:
CAS RN: 3129-93-9
CAS Name: di(propan-2-yl)azanide; nitrosooxonium
OPENEYE Name: diisopropylazanide; nitrosooxonium
IUPAC Name: di(propan-2-yl)azanide; nitrosooxidanium
SYSTEMATIC NAME: di(propan-2-yl)azanide; nitrosooxidanium
MOLECULAR FORMULA: C6H16N2O2
MOLECULAR WEIGHT: 148.20344
SMILES: CC(C)[N-]C(C)C.N(=O)[OH2+]
Structure:
CAS RN: 3127-74-0
CAS Name: 2-tert-butyl-5-methyl-1-cyclohexanol
OPENEYE Name: 2-tert-butyl-5-methyl-cyclohexanol
IUPAC Name: 2-tert-butyl-5-methylcyclohexan-1-ol
SYSTEMATIC NAME: 2-tert-butyl-5-methyl-cyclohexan-1-ol
MOLECULAR FORMULA: C11H22O
MOLECULAR WEIGHT: 170.29178
SMILES: CC1CCC(C(C1)O)C(C)(C)C
Structure:
CAS RN: 91242-69-2
CAS Name: 2-tert-butyl-5-methyl-1-cyclohexanol
OPENEYE Name: 2-tert-butyl-5-methyl-cyclohexanol
IUPAC Name: 2-tert-butyl-5-methylcyclohexan-1-ol
SYSTEMATIC NAME: 2-tert-butyl-5-methyl-cyclohexan-1-ol
MOLECULAR FORMULA: C11H22O
MOLECULAR WEIGHT: 170.29178
SMILES: CC1CCC(C(C1)O)C(C)(C)C
Structure:
CAS RN: 3125-66-4
CAS Name: 3-isothiocyanatobenzoic acid methyl ester
OPENEYE Name: methyl 3-isothiocyanatobenzoate
IUPAC Name: methyl 3-isothiocyanatobenzoate
SYSTEMATIC NAME: methyl 3-isothiocyanatobenzoate
MOLECULAR FORMULA: C9H7NO2S
MOLECULAR WEIGHT: 193.22238
SMILES: COC(=O)C1=CC(=CC=C1)N=C=S
Structure:
CAS RN: 3125-64-2
CAS Name: 1-isothiocyanato-3-methoxybenzene
OPENEYE Name: 1-isothiocyanato-3-methoxy-benzene
IUPAC Name: 1-isothiocyanato-3-methoxybenzene
SYSTEMATIC NAME: 1-isothiocyanato-3-methoxy-benzene
MOLECULAR FORMULA: C8H7NOS
MOLECULAR WEIGHT: 165.21228
SMILES: COC1=CC=CC(=C1)N=C=S
Structure:
CAS RN: 3119-88-8
CAS Name: (2-fluorophenyl)-(2-hydroxy-4-methoxyphenyl)methanone
OPENEYE Name: (2-fluorophenyl)-(2-hydroxy-4-methoxy-phenyl)methanone
IUPAC Name: (2-fluorophenyl)-(2-hydroxy-4-methoxyphenyl)methanone
SYSTEMATIC NAME: (2-fluorophenyl)-(4-methoxy-2-oxidanyl-phenyl)methanone
MOLECULAR FORMULA: C14H11FO3
MOLECULAR WEIGHT: 246.233743
SMILES: COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2F)O
Structure:
CAS RN: 3114-46-3
CAS Name: 3-bromo-2-propynenitrile
OPENEYE Name: 3-bromoprop-2-ynenitrile
IUPAC Name: 3-bromoprop-2-ynenitrile
SYSTEMATIC NAME: 3-bromanylprop-2-ynenitrile
MOLECULAR FORMULA: C3BrN
MOLECULAR WEIGHT: 129.9428
SMILES: C(#CBr)C#N
Structure:
CAS RN: 1193-81-3
CAS Name: 1-cyclohexylethanol
OPENEYE Name: 1-cyclohexylethanol
IUPAC Name: 1-cyclohexylethanol
SYSTEMATIC NAME: 1-cyclohexylethanol
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CC(C1CCCCC1)O
Structure:
CAS RN: 3113-98-2
CAS Name: 1-cyclohexylethanol
OPENEYE Name: 1-cyclohexylethanol
IUPAC Name: 1-cyclohexylethanol
SYSTEMATIC NAME: 1-cyclohexylethanol
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CC(C1CCCCC1)O
Structure:
CAS RN: 3107-20-8
CAS Name: 1,2,5-trichloro-3-fluorobenzene
OPENEYE Name: 1,2,5-trichloro-3-fluoro-benzene
IUPAC Name: 1,2,5-trichloro-3-fluorobenzene
SYSTEMATIC NAME: 1,2,5-tris(chloranyl)-3-fluoranyl-benzene
MOLECULAR FORMULA: C6H2Cl3F
MOLECULAR WEIGHT: 199.437483
SMILES: C1=C(C=C(C(=C1Cl)Cl)F)Cl
Structure:
CAS RN: 3105-29-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H12
MOLECULAR WEIGHT: 120.19158
SMILES: C1C2C3C2CC4C1C4C3
Structure:
CAS RN: 3102-79-2
CAS Name: dichloro-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane
OPENEYE Name: dichloro-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methyl-silane
IUPAC Name: dichloro-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane
SYSTEMATIC NAME: bis(chloranyl)-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)decyl]-methyl-silane
MOLECULAR FORMULA: C11H7Cl2F17Si
MOLECULAR WEIGHT: 561.137634
SMILES: C[Si](CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)Cl
Structure:
CAS RN: 3098-82-6
CAS Name: dimethyl-(phenylmethyl)-trimethylsilylsilane
OPENEYE Name: benzyl-dimethyl-trimethylsilyl-silane
IUPAC Name: benzyl-dimethyl-trimethylsilylsilane
SYSTEMATIC NAME: dimethyl-(phenylmethyl)-trimethylsilyl-silane
MOLECULAR FORMULA: C12H22Si2
MOLECULAR WEIGHT: 222.47408
SMILES: C[Si](C)(C)[Si](C)(C)CC1=CC=CC=C1
Structure:
CAS RN: 3098-18-8
CAS Name: (2-hydroxy-4-methylphenyl)-phenylmethanone
OPENEYE Name: (2-hydroxy-4-methyl-phenyl)-phenyl-methanone
IUPAC Name: (2-hydroxy-4-methylphenyl)-phenylmethanone
SYSTEMATIC NAME: (4-methyl-2-oxidanyl-phenyl)-phenyl-methanone
MOLECULAR FORMULA: C14H12O2
MOLECULAR WEIGHT: 212.24388
SMILES: CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
Structure:
CAS RN: 3097-63-0
CAS Name: bicyclo[2.2.0]hex-2-ene
OPENEYE Name: bicyclo[2.2.0]hex-2-ene
IUPAC Name: bicyclo[2.2.0]hex-2-ene
SYSTEMATIC NAME: bicyclo[2.2.0]hex-2-ene
MOLECULAR FORMULA: C6H8
MOLECULAR WEIGHT: 80.12772
SMILES: C1CC2C1C=C2
Structure:
CAS RN: 3096-95-5
CAS Name: N-(2,6-dimethylphenyl)-1-phenylmethanimine
OPENEYE Name: N-(2,6-dimethylphenyl)-1-phenyl-methanimine
IUPAC Name: N-(2,6-dimethylphenyl)-1-phenylmethanimine
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-1-phenyl-methanimine
MOLECULAR FORMULA: C15H15N
MOLECULAR WEIGHT: 209.2863
SMILES: CC1=C(C(=CC=C1)C)N=CC2=CC=CC=C2
Structure:
CAS RN: 3096-81-9
CAS Name: 4-phenoxybenzonitrile
OPENEYE Name: 4-phenoxybenzonitrile
IUPAC Name: 4-phenoxybenzonitrile
SYSTEMATIC NAME: 4-phenoxybenzenecarbonitrile
MOLECULAR FORMULA: C13H9NO
MOLECULAR WEIGHT: 195.21666
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N
Structure:
CAS RN: 3092-46-4
CAS Name: 1,4-thiatellurin
OPENEYE Name: 1,4-thiatellurine
IUPAC Name: 1,4-thiatellurine
SYSTEMATIC NAME: 1,4-thiatellurine
MOLECULAR FORMULA: C4H4STe
MOLECULAR WEIGHT: 211.73956
SMILES: C1=C[Te]C=CS1
Structure:
CAS RN: 3088-05-9
CAS Name: 1-(N-(2-hydroxy-3-phenoxypropyl)anilino)-3-phenoxy-2-propanol
OPENEYE Name: 1-(N-(2-hydroxy-3-phenoxy-propyl)anilino)-3-phenoxy-propan-2-ol
IUPAC Name: 1-(N-(2-hydroxy-3-phenoxypropyl)anilino)-3-phenoxypropan-2-ol
SYSTEMATIC NAME: 1-[(2-oxidanyl-3-phenoxy-propyl)-phenyl-amino]-3-phenoxy-propan-2-ol
MOLECULAR FORMULA: C24H27NO4
MOLECULAR WEIGHT: 393.47548
SMILES: C1=CC=C(C=C1)N(CC(COC2=CC=CC=C2)O)CC(COC3=CC=CC=C3)O
Structure:
CAS RN: 3075-84-1
CAS Name: 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene
OPENEYE Name: 2-(2,5-dimethylphenyl)-1,4-dimethyl-benzene
IUPAC Name: 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene
SYSTEMATIC NAME: 2-(2,5-dimethylphenyl)-1,4-dimethyl-benzene
MOLECULAR FORMULA: C16H18
MOLECULAR WEIGHT: 210.31412
SMILES: CC1=CC(=C(C=C1)C)C2=C(C=CC(=C2)C)C
Structure:
CAS RN: 3074-64-4
CAS Name: 2,3-dimethyl-2-heptene
OPENEYE Name: 2,3-dimethylhept-2-ene
IUPAC Name: 2,3-dimethylhept-2-ene
SYSTEMATIC NAME: 2,3-dimethylhept-2-ene
MOLECULAR FORMULA: C9H18
MOLECULAR WEIGHT: 126.23922
SMILES: CCCCC(=C(C)C)C
Structure:
CAS RN: 3074-61-1
CAS Name: 1-propylcyclopentene
OPENEYE Name: 1-propylcyclopentene
IUPAC Name: 1-propylcyclopentene
SYSTEMATIC NAME: 1-propylcyclopentene
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: CCCC1=CCCC1
Structure:
CAS RN: 3073-92-5
CAS Name: 1-propoxybutane
OPENEYE Name: 1-propoxybutane
IUPAC Name: 1-propoxybutane
SYSTEMATIC NAME: 1-propoxybutane
MOLECULAR FORMULA: C7H16O
MOLECULAR WEIGHT: 116.20134
SMILES: CCCCOCCC
Structure:
CAS RN: 3073-05-0
CAS Name: 1,4-bis(4-phenylphenyl)benzene
OPENEYE Name: 1,4-bis(4-phenylphenyl)benzene
IUPAC Name: 1,4-bis(4-phenylphenyl)benzene
SYSTEMATIC NAME: 1,4-bis(4-phenylphenyl)benzene
MOLECULAR FORMULA: C30H22
MOLECULAR WEIGHT: 382.49568
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC=CC=C5
Structure:
CAS RN: 3072-03-5
CAS Name: decanedioic acid dioctadecyl ester
OPENEYE Name: dioctadecyl decanedioate
IUPAC Name: dioctadecyl decanedioate
SYSTEMATIC NAME: dioctadecyl decanedioate
MOLECULAR FORMULA: C46H90O4
MOLECULAR WEIGHT: 707.2044
SMILES: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC
Structure:
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