CAS RN: 4533-25-9
CAS Name: cyclotrideca-1,7-diyne
OPENEYE Name: cyclotrideca-1,7-diyne
IUPAC Name: cyclotrideca-1,7-diyne
SYSTEMATIC NAME: cyclotrideca-1,7-diyne
MOLECULAR FORMULA: C13H18
MOLECULAR WEIGHT: 174.28202
SMILES: C1CCC#CCCCCC#CCC1
Structure:
CAS RN: 4531-35-5
CAS Name: tetraethynylgermane
OPENEYE Name: tetraethynylgermane
IUPAC Name: tetraethynylgermane
SYSTEMATIC NAME: tetraethynylgermane
MOLECULAR FORMULA: C8H4Ge
MOLECULAR WEIGHT: 172.75736
SMILES: C#C[Ge](C#C)(C#C)C#C
Structure:
CAS RN: 4528-68-1
CAS Name: 4,4-diphenyl-1-cyclohexanone
OPENEYE Name: 4,4-diphenylcyclohexanone
IUPAC Name: 4,4-diphenylcyclohexan-1-one
SYSTEMATIC NAME: 4,4-diphenylcyclohexan-1-one
MOLECULAR FORMULA: C18H18O
MOLECULAR WEIGHT: 250.33492
SMILES: C1CC(CCC1=O)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 4528-64-7
CAS Name: 4,4-diphenyl-1-cyclohex-2-enone
OPENEYE Name: 4,4-diphenylcyclohex-2-en-1-one
IUPAC Name: 4,4-diphenylcyclohex-2-en-1-one
SYSTEMATIC NAME: 4,4-diphenylcyclohex-2-en-1-one
MOLECULAR FORMULA: C18H16O
MOLECULAR WEIGHT: 248.31904
SMILES: C1CC(C=CC1=O)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 4526-07-2
CAS Name: trimethyl(4-trimethylsilylbuta-1,3-diynyl)silane
OPENEYE Name: trimethyl(4-trimethylsilylbuta-1,3-diynyl)silane
IUPAC Name: trimethyl(4-trimethylsilylbuta-1,3-diynyl)silane
SYSTEMATIC NAME: trimethyl(4-trimethylsilylbuta-1,3-diynyl)silane
MOLECULAR FORMULA: C10H18Si2
MOLECULAR WEIGHT: 194.42092
SMILES: C[Si](C)(C)C#CC#C[Si](C)(C)C
Structure:
CAS RN: 4521-31-7
CAS Name: (2-mercaptophenyl)methanol
OPENEYE Name: (2-sulfanylphenyl)methanol
IUPAC Name: (2-sulfanylphenyl)methanol
SYSTEMATIC NAME: (2-sulfanylphenyl)methanol
MOLECULAR FORMULA: C7H8OS
MOLECULAR WEIGHT: 140.20282
SMILES: C1=CC=C(C(=C1)CO)S
Structure:
CAS RN: 4513-94-4
CAS Name: 1H-pyrrole-2-carbonitrile
OPENEYE Name: 1H-pyrrole-2-carbonitrile
IUPAC Name: 1H-pyrrole-2-carbonitrile
SYSTEMATIC NAME: 1H-pyrrole-2-carbonitrile
MOLECULAR FORMULA: C5H4N2
MOLECULAR WEIGHT: 92.09866
SMILES: C1=CNC(=C1)C#N
Structure:
CAS RN: 4513-73-9
CAS Name: 2-(4-methoxy-3-methylphenyl)acetic acid
OPENEYE Name: 2-(4-methoxy-3-methyl-phenyl)acetic acid
IUPAC Name: 2-(4-methoxy-3-methylphenyl)acetic acid
SYSTEMATIC NAME: 2-(4-methoxy-3-methyl-phenyl)ethanoic acid
MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: CC1=C(C=CC(=C1)CC(=O)O)OC
Structure:
CAS RN: 4505-38-8
CAS Name: cyclohex-2-ene-1,4-dione
OPENEYE Name: cyclohex-2-ene-1,4-dione
IUPAC Name: cyclohex-2-ene-1,4-dione
SYSTEMATIC NAME: cyclohex-2-ene-1,4-dione
MOLECULAR FORMULA: C6H6O2
MOLECULAR WEIGHT: 110.11064
SMILES: C1CC(=O)C=CC1=O
Structure:
CAS RN: 4497-72-7
CAS Name: N-(3-chloro-1,4-dioxo-2-naphthalenyl)-N-ethylacetamide
OPENEYE Name: N-(3-chloro-1,4-dioxo-2-naphthyl)-N-ethyl-acetamide
IUPAC Name: N-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-ethylacetamide
SYSTEMATIC NAME: N-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-N-ethyl-ethanamide
MOLECULAR FORMULA: C14H12ClNO3
MOLECULAR WEIGHT: 277.70298
SMILES: CCN(C1=C(C(=O)C2=CC=CC=C2C1=O)Cl)C(=O)C
Structure:
CAS RN: 4486-29-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H12
MOLECULAR WEIGHT: 144.21298
SMILES: C1CC2CC1C3=CC=CC=C23
Structure:
CAS RN: 4485-13-6
CAS Name: 4-propyl-3-heptene
OPENEYE Name: 4-propylhept-3-ene
IUPAC Name: 4-propylhept-3-ene
SYSTEMATIC NAME: 4-propylhept-3-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCCC(=CCC)CCC
Structure:
CAS RN: 4475-27-8
CAS Name: 2-undecylpropanedioic acid
OPENEYE Name: 2-undecylpropanedioic acid
IUPAC Name: 2-undecylpropanedioic acid
SYSTEMATIC NAME: 2-undecylpropanedioic acid
MOLECULAR FORMULA: C14H26O4
MOLECULAR WEIGHT: 258.35384
SMILES: CCCCCCCCCCCC(C(=O)O)C(=O)O
Structure:
CAS RN: 4475-23-4
CAS Name: 2-tetradecylpropanedioic acid
OPENEYE Name: 2-tetradecylpropanedioic acid
IUPAC Name: 2-tetradecylpropanedioic acid
SYSTEMATIC NAME: 2-tetradecylpropanedioic acid
MOLECULAR FORMULA: C17H32O4
MOLECULAR WEIGHT: 300.43358
SMILES: CCCCCCCCCCCCCCC(C(=O)O)C(=O)O
Structure:
CAS RN: 4471-22-1
CAS Name: N-(triphenylmethyl)aniline
OPENEYE Name: N-tritylaniline
IUPAC Name: N-tritylaniline
SYSTEMATIC NAME: N-(triphenylmethyl)aniline
MOLECULAR FORMULA: C25H21N
MOLECULAR WEIGHT: 335.44094
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=CC=CC=C4
Structure:
CAS RN: 4471-17-4
CAS Name: phenylmethylbenzene
OPENEYE Name: phenylmethylbenzene
IUPAC Name: phenylmethylbenzene
SYSTEMATIC NAME: phenylmethylbenzene
MOLECULAR FORMULA: C13H11
MOLECULAR WEIGHT: 167.22644
SMILES: C1=CC=C(C=C1)[CH]C2=CC=CC=C2
Structure:
CAS RN: 4469-81-2
CAS Name: 2-butoxyaniline
OPENEYE Name: 2-butoxyaniline
IUPAC Name: 2-butoxyaniline
SYSTEMATIC NAME: 2-butoxyaniline
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CCCCOC1=CC=CC=C1N
Structure:
CAS RN: 4468-66-0
CAS Name: 2,3-diethyloxirane
OPENEYE Name: 2,3-diethyloxirane
IUPAC Name: 2,3-diethyloxirane
SYSTEMATIC NAME: 2,3-diethyloxirane
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CCC1C(O1)CC
Structure:
CAS RN: 4468-57-9
CAS Name: 2-(2,3-dimethoxyphenyl)acetonitrile
OPENEYE Name: 2-(2,3-dimethoxyphenyl)acetonitrile
IUPAC Name: 2-(2,3-dimethoxyphenyl)acetonitrile
SYSTEMATIC NAME: 2-(2,3-dimethoxyphenyl)ethanenitrile
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: COC1=CC=CC(=C1OC)CC#N
Structure:
CAS RN: 4467-88-3
CAS Name: 1,3-diphenyl-1H-indene
OPENEYE Name: 1,3-diphenyl-1H-indene
IUPAC Name: 1,3-diphenyl-1H-indene
SYSTEMATIC NAME: 1,3-diphenyl-1H-indene
MOLECULAR FORMULA: C21H16
MOLECULAR WEIGHT: 268.35174
SMILES: C1=CC=C(C=C1)C2C=C(C3=CC=CC=C23)C4=CC=CC=C4
Structure:
CAS RN: 4462-96-8
CAS Name: 3-oxabicyclo[3.2.0]heptane-2,4-dione
OPENEYE Name: 3-oxabicyclo[3.2.0]heptane-2,4-dione
IUPAC Name: 3-oxabicyclo[3.2.0]heptane-2,4-dione
SYSTEMATIC NAME: 3-oxabicyclo[3.2.0]heptane-2,4-dione
MOLECULAR FORMULA: C6H6O3
MOLECULAR WEIGHT: 126.11004
SMILES: C1CC2C1C(=O)OC2=O
Structure:
CAS RN: 7687-27-6
CAS Name: 3-oxabicyclo[3.2.0]heptane-2,4-dione
OPENEYE Name: 3-oxabicyclo[3.2.0]heptane-2,4-dione
IUPAC Name: 3-oxabicyclo[3.2.0]heptane-2,4-dione
SYSTEMATIC NAME: 3-oxabicyclo[3.2.0]heptane-2,4-dione
MOLECULAR FORMULA: C6H6O3
MOLECULAR WEIGHT: 126.11004
SMILES: C1CC2C1C(=O)OC2=O
Structure:
CAS RN: 4461-87-4
CAS Name: 1,1-dimethoxybutane
OPENEYE Name: 1,1-dimethoxybutane
IUPAC Name: 1,1-dimethoxybutane
SYSTEMATIC NAME: 1,1-dimethoxybutane
MOLECULAR FORMULA: C6H14O2
MOLECULAR WEIGHT: 118.17416
SMILES: CCCC(OC)OC
Structure:
CAS RN: 4459-18-1
CAS Name: 1,1,1,3,3,3-hexafluoro-2-iodo-2-(trifluoromethyl)propane
OPENEYE Name: 1,1,1,3,3,3-hexafluoro-2-iodo-2-(trifluoromethyl)propane
IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-iodo-2-(trifluoromethyl)propane
SYSTEMATIC NAME: 1,1,1,3,3,3-hexakis(fluoranyl)-2-iodanyl-2-(trifluoromethyl)propane
MOLECULAR FORMULA: C4F9I
MOLECULAR WEIGHT: 345.932899
SMILES: C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)I
Structure:
CAS RN: 4457-72-1
CAS Name: 1,5-dibromo-3-methylpentane
OPENEYE Name: 1,5-dibromo-3-methyl-pentane
IUPAC Name: 1,5-dibromo-3-methylpentane
SYSTEMATIC NAME: 1,5-bis(bromanyl)-3-methyl-pentane
MOLECULAR FORMULA: C6H12Br2
MOLECULAR WEIGHT: 243.96748
SMILES: CC(CCBr)CCBr
Structure:
CAS RN: 4457-00-5
CAS Name: hexylcyclopentane
OPENEYE Name: hexylcyclopentane
IUPAC Name: hexylcyclopentane
SYSTEMATIC NAME: hexylcyclopentane
MOLECULAR FORMULA: C11H22
MOLECULAR WEIGHT: 154.29238
SMILES: CCCCCCC1CCCC1
Structure:
CAS RN: 4452-08-8
CAS Name: 3-oxo-2-propenenitrile
OPENEYE Name: 3-oxoprop-2-enenitrile
IUPAC Name: 3-oxoprop-2-enenitrile
SYSTEMATIC NAME: 3-oxidanylideneprop-2-enenitrile
MOLECULAR FORMULA: C3HNO
MOLECULAR WEIGHT: 67.04614
SMILES: C(=C=O)C#N
Structure:
CAS RN: 4447-21-6
CAS Name: hexa-1,3-diyne
OPENEYE Name: hexa-1,3-diyne
IUPAC Name: hexa-1,3-diyne
SYSTEMATIC NAME: hexa-1,3-diyne
MOLECULAR FORMULA: C6H6
MOLECULAR WEIGHT: 78.11184
SMILES: CCC#CC#C
Structure:
CAS RN: 4445-67-4
CAS Name: 1-diethylphosphoryltetradecane
OPENEYE Name: 1-diethylphosphoryltetradecane
IUPAC Name: 1-diethylphosphoryltetradecane
SYSTEMATIC NAME: 1-diethylphosphoryltetradecane
MOLECULAR FORMULA: C18H39OP
MOLECULAR WEIGHT: 302.475421
SMILES: CCCCCCCCCCCCCCP(=O)(CC)CC
Structure:
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