CAS RN: 1119-58-0
CAS Name: 3-octyn-2-one
OPENEYE Name: oct-3-yn-2-one
IUPAC Name: oct-3-yn-2-one
SYSTEMATIC NAME: oct-3-yn-2-one
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: CCCCC#CC(=O)C
Structure:
CAS RN: 1119-19-3
CAS Name: 2-butynal
OPENEYE Name: but-2-ynal
IUPAC Name: but-2-ynal
SYSTEMATIC NAME: but-2-ynal
MOLECULAR FORMULA: C4H4O
MOLECULAR WEIGHT: 68.07396
SMILES: CC#CC=O
Structure:
CAS RN: 1118-69-0
CAS Name: N-propan-2-ylacetamide
OPENEYE Name: N-isopropylacetamide
IUPAC Name: N-propan-2-ylacetamide
SYSTEMATIC NAME: N-propan-2-ylethanamide
MOLECULAR FORMULA: C5H11NO
MOLECULAR WEIGHT: 101.14694
SMILES: CC(C)NC(=O)C
Structure:
CAS RN: 1118-10-1
CAS Name: trimethyl(2-methylpropyl)stannane
OPENEYE Name: isobutyl(trimethyl)stannane
IUPAC Name: trimethyl(2-methylpropyl)stannane
SYSTEMATIC NAME: trimethyl(2-methylpropyl)stannane
MOLECULAR FORMULA: C7H18Sn
MOLECULAR WEIGHT: 220.92782
SMILES: CC(C)C[Sn](C)(C)C
Structure:
CAS RN: 1118-00-9
CAS Name: 1-methoxy-2,2-dimethylpropane
OPENEYE Name: 1-methoxy-2,2-dimethyl-propane
IUPAC Name: 1-methoxy-2,2-dimethylpropane
SYSTEMATIC NAME: 1-methoxy-2,2-dimethyl-propane
MOLECULAR FORMULA: C6H14O
MOLECULAR WEIGHT: 102.17476
SMILES: CC(C)(C)COC
Structure:
CAS RN: 1116-01-4
CAS Name: dicyanophosphinoformonitrile
OPENEYE Name: dicyanophosphanylformonitrile
IUPAC Name: dicyanophosphanylformonitrile
SYSTEMATIC NAME: dicyanophosphanylmethanenitrile
MOLECULAR FORMULA: C3N3P
MOLECULAR WEIGHT: 109.025961
SMILES: C(#N)P(C#N)C#N
Structure:
CAS RN: 1115-37-3
CAS Name: 2-propan-2-ylbutanedinitrile
OPENEYE Name: 2-isopropylbutanedinitrile
IUPAC Name: 2-propan-2-ylbutanedinitrile
SYSTEMATIC NAME: 2-propan-2-ylbutanedinitrile
MOLECULAR FORMULA: C7H10N2
MOLECULAR WEIGHT: 122.1677
SMILES: CC(C)C(CC#N)C#N
Structure:
CAS RN: 1115-13-5
CAS Name: dimethoxymethanethione
OPENEYE Name: dimethoxymethanethione
IUPAC Name: dimethoxymethanethione
SYSTEMATIC NAME: dimethoxymethanethione
MOLECULAR FORMULA: C3H6O2S
MOLECULAR WEIGHT: 106.14354
SMILES: COC(=S)OC
Structure:
CAS RN: 1113-31-1
CAS Name: N-dichloroboranyl-N-methylmethanamine
OPENEYE Name: N-dichloroboranyl-N-methyl-methanamine
IUPAC Name: N-dichloroboranyl-N-methylmethanamine
SYSTEMATIC NAME: N-bis(chloranyl)boranyl-N-methyl-methanamine
MOLECULAR FORMULA: C2H6BCl2N
MOLECULAR WEIGHT: 125.79274
SMILES: B(N(C)C)(Cl)Cl
Structure:
CAS RN: 1113-30-0
CAS Name: N-dimethylboranyl-N-methylmethanamine
OPENEYE Name: N-dimethylboranyl-N-methyl-methanamine
IUPAC Name: N-dimethylboranyl-N-methylmethanamine
SYSTEMATIC NAME: N-dimethylboranyl-N-methyl-methanamine
MOLECULAR FORMULA: C4H12BN
MOLECULAR WEIGHT: 84.95578
SMILES: B(C)(C)N(C)C
Structure:
CAS RN: 1112-78-3
CAS Name: 2,2-dimethoxy-4-methylpentane
OPENEYE Name: 2,2-dimethoxy-4-methyl-pentane
IUPAC Name: 2,2-dimethoxy-4-methylpentane
SYSTEMATIC NAME: 2,2-dimethoxy-4-methyl-pentane
MOLECULAR FORMULA: C8H18O2
MOLECULAR WEIGHT: 146.22732
SMILES: CC(C)CC(C)(OC)OC
Structure:
CAS RN: 1112-35-2
CAS Name: 3,3-dimethylpenta-1,4-diene
OPENEYE Name: 3,3-dimethylpenta-1,4-diene
IUPAC Name: 3,3-dimethylpenta-1,4-diene
SYSTEMATIC NAME: 3,3-dimethylpenta-1,4-diene
MOLECULAR FORMULA: C7H12
MOLECULAR WEIGHT: 96.17018
SMILES: CC(C)(C=C)C=C
Structure:
CAS RN: 1112-06-7
CAS Name: ethenyl-dimethyl-trimethylsilylsilane
OPENEYE Name: dimethyl-trimethylsilyl-vinyl-silane
IUPAC Name: ethenyl-dimethyl-trimethylsilylsilane
SYSTEMATIC NAME: ethenyl-dimethyl-trimethylsilyl-silane
MOLECULAR FORMULA: C7H18Si2
MOLECULAR WEIGHT: 158.38882
SMILES: C[Si](C)(C)[Si](C)(C)C=C
Structure:
CAS RN: 1112-03-4
CAS Name: difluoro(trichloromethyl)phosphine
OPENEYE Name: difluoro(trichloromethyl)phosphane
IUPAC Name: difluoro(trichloromethyl)phosphane
SYSTEMATIC NAME: bis(fluoranyl)-(trichloromethyl)phosphane
MOLECULAR FORMULA: CCl3F2P
MOLECULAR WEIGHT: 187.340267
SMILES: C(P(F)F)(Cl)(Cl)Cl
Structure:
CAS RN: 1112-02-3
CAS Name: 2,2,2-trideuterioacetic acid
OPENEYE Name: 2,2,2-trideuterioacetic acid
IUPAC Name: 2,2,2-trideuterioacetic acid
SYSTEMATIC NAME: 2,2,2-trideuterioethanoic acid
MOLECULAR FORMULA: C2H4O2
MOLECULAR WEIGHT: 63.070445
SMILES: [2H]C([2H])([2H])C(=O)O
Structure:
CAS RN: 1112-00-1
CAS Name: ethynyl(trimethyl)stannane
OPENEYE Name: ethynyl(trimethyl)stannane
IUPAC Name: ethynyl(trimethyl)stannane
SYSTEMATIC NAME: ethynyl(trimethyl)stannane
MOLECULAR FORMULA: C5H10Sn
MOLECULAR WEIGHT: 188.8429
SMILES: C[Sn](C)(C)C#C
Structure:
CAS RN: 1111-89-3
CAS Name: chloro(trideuterio)methane
OPENEYE Name: chloro(trideuterio)methane
IUPAC Name: chloro(trideuterio)methane
SYSTEMATIC NAME: chloranyl(trideuterio)methane
MOLECULAR FORMULA: CH3Cl
MOLECULAR WEIGHT: 53.506005
SMILES: [2H]C([2H])([2H])Cl
Structure:
CAS RN: 1111-83-7
CAS Name: dimethyl(sulfanylidene)silane
OPENEYE Name: dimethyl(thioxo)silane
IUPAC Name: dimethyl(sulfanylidene)silane
SYSTEMATIC NAME: dimethyl(sulfanylidene)silane
MOLECULAR FORMULA: C2H6SSi
MOLECULAR WEIGHT: 90.21954
SMILES: C[Si](=S)C
Structure:
CAS RN: 1089-59-4
CAS Name: methyl(triphenyl)stannane
OPENEYE Name: methyl(triphenyl)stannane
IUPAC Name: methyl(triphenyl)stannane
SYSTEMATIC NAME: methyl(triphenyl)stannane
MOLECULAR FORMULA: C19H18Sn
MOLECULAR WEIGHT: 365.05622
SMILES: C[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 1088-02-4
CAS Name: triphenylgallane
OPENEYE Name: triphenylgallane
IUPAC Name: triphenylgallane
SYSTEMATIC NAME: triphenylgallane
MOLECULAR FORMULA: C18H15Ga
MOLECULAR WEIGHT: 301.0347
SMILES: C1=CC=C(C=C1)[Ga](C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 1087-49-6
CAS Name: 6-phenylhexylbenzene
OPENEYE Name: 6-phenylhexylbenzene
IUPAC Name: 6-phenylhexylbenzene
SYSTEMATIC NAME: 6-phenylhexylbenzene
MOLECULAR FORMULA: C18H22
MOLECULAR WEIGHT: 238.36728
SMILES: C1=CC=C(C=C1)CCCCCCC2=CC=CC=C2
Structure:
CAS RN: 1083-82-5
CAS Name: 2,2-diphenyl-1,3,2-dithiaplumbolane
OPENEYE Name: 2,2-diphenyl-1,3,2-dithiaplumbolane
IUPAC Name: 2,2-diphenyl-1,3,2-dithiaplumbolane
SYSTEMATIC NAME: 2,2-diphenyl-1,3,2-dithiaplumbolane
MOLECULAR FORMULA: C14H14PbS2
MOLECULAR WEIGHT: 453.59096
SMILES: C1CS[Pb](S1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 1079-65-8
CAS Name: bromo(diphenyl)phosphine
OPENEYE Name: bromo(diphenyl)phosphane
IUPAC Name: bromo(diphenyl)phosphane
SYSTEMATIC NAME: bromanyl(diphenyl)phosphane
MOLECULAR FORMULA: C12H10BrP
MOLECULAR WEIGHT: 265.085561
SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)Br
Structure:
CAS RN: 1077-58-3
CAS Name: 2-tert-butylbenzoic acid
OPENEYE Name: 2-tert-butylbenzoic acid
IUPAC Name: 2-tert-butylbenzoic acid
SYSTEMATIC NAME: 2-tert-butylbenzoic acid
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC(C)(C)C1=CC=CC=C1C(=O)O
Structure:
CAS RN: 1320-16-7
CAS Name: 2-tert-butylbenzoic acid
OPENEYE Name: 2-tert-butylbenzoic acid
IUPAC Name: 2-tert-butylbenzoic acid
SYSTEMATIC NAME: 2-tert-butylbenzoic acid
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC(C)(C)C1=CC=CC=C1C(=O)O
Structure:
CAS RN: 1076-88-6
CAS Name: 3,4,5-trimethylbenzoic acid
OPENEYE Name: 3,4,5-trimethylbenzoic acid
IUPAC Name: 3,4,5-trimethylbenzoic acid
SYSTEMATIC NAME: 3,4,5-trimethylbenzoic acid
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CC1=CC(=CC(=C1C)C)C(=O)O
Structure:
CAS RN: 1076-69-3
CAS Name: 5,6,7,8,9,10-hexahydrobenzo[8]annulene
OPENEYE Name: 5,6,7,8,9,10-hexahydrobenzo[8]annulene
IUPAC Name: 5,6,7,8,9,10-hexahydrobenzo[8]annulene
SYSTEMATIC NAME: 5,6,7,8,9,10-hexahydrobenzo[8]annulene
MOLECULAR FORMULA: C12H16
MOLECULAR WEIGHT: 160.25544
SMILES: C1CCCC2=CC=CC=C2CC1
Structure:
CAS RN: 1076-67-1
CAS Name: 1-naphthalenylmethanethiol
OPENEYE Name: 1-naphthylmethanethiol
IUPAC Name: naphthalen-1-ylmethanethiol
SYSTEMATIC NAME: naphthalen-1-ylmethanethiol
MOLECULAR FORMULA: C11H10S
MOLECULAR WEIGHT: 174.2621
SMILES: C1=CC=C2C(=C1)C=CC=C2CS
Structure:
CAS RN: 5254-86-4
CAS Name: 1-naphthalenylmethanethiol
OPENEYE Name: 1-naphthylmethanethiol
IUPAC Name: naphthalen-1-ylmethanethiol
SYSTEMATIC NAME: naphthalen-1-ylmethanethiol
MOLECULAR FORMULA: C11H10S
MOLECULAR WEIGHT: 174.2621
SMILES: C1=CC=C2C(=C1)C=CC=C2CS
Structure:
CAS RN: 1076-17-1
CAS Name: 1,2,3,6,7,8-hexahydro-as-indacene
OPENEYE Name: 1,2,3,6,7,8-hexahydro-as-indacene
IUPAC Name: 1,2,3,6,7,8-hexahydro-as-indacene
SYSTEMATIC NAME: 1,2,3,6,7,8-hexahydro-as-indacene
MOLECULAR FORMULA: C12H14
MOLECULAR WEIGHT: 158.23956
SMILES: C1CC2=C(C1)C3=C(CCC3)C=C2
Structure:
CAS RN: 1076-13-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H14
MOLECULAR WEIGHT: 158.23956
SMILES: C1C2C=CC1C3C2C4CC3C=C4
Structure:
CAS RN: 15914-94-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H14
MOLECULAR WEIGHT: 158.23956
SMILES: C1C2C=CC1C3C2C4CC3C=C4
Structure:
CAS RN: 83602-18-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H14
MOLECULAR WEIGHT: 158.23956
SMILES: C1C2C=CC1C3C2C4CC3C=C4
Structure:
CAS RN: 1076-12-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H16
MOLECULAR WEIGHT: 160.25544
SMILES: C1CC2CC1C3C2C4CC3C=C4
Structure:
CAS RN: 15914-93-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H16
MOLECULAR WEIGHT: 160.25544
SMILES: C1CC2CC1C3C2C4CC3C=C4
Structure:
CAS RN: 21635-90-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H16
MOLECULAR WEIGHT: 160.25544
SMILES: C1CC2CC1C3C2C4CC3C=C4
Structure:
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