CAS RN: 3934-77-8
CAS Name: 4,6-ditert-butylbenzene-1,2,3-triol
OPENEYE Name: 4,6-ditert-butylbenzene-1,2,3-triol
IUPAC Name: 4,6-ditert-butylbenzene-1,2,3-triol
SYSTEMATIC NAME: 4,6-ditert-butylbenzene-1,2,3-triol
MOLECULAR FORMULA: C14H22O3
MOLECULAR WEIGHT: 238.32268
SMILES: CC(C)(C)C1=CC(=C(C(=C1O)O)O)C(C)(C)C
Structure:
CAS RN: 3916-44-7
CAS Name: 4-(4-nitrophenyl)phenol
OPENEYE Name: 4-(4-nitrophenyl)phenol
IUPAC Name: 4-(4-nitrophenyl)phenol
SYSTEMATIC NAME: 4-(4-nitrophenyl)phenol
MOLECULAR FORMULA: C12H9NO3
MOLECULAR WEIGHT: 215.20476
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)O)[N+](=O)[O-]
Structure:
CAS RN: 3912-37-6
CAS Name: 4-isothiazolecarbonitrile
OPENEYE Name: isothiazole-4-carbonitrile
IUPAC Name: 1,2-thiazole-4-carbonitrile
SYSTEMATIC NAME: 1,2-thiazole-4-carbonitrile
MOLECULAR FORMULA: C4H2N2S
MOLECULAR WEIGHT: 110.13708
SMILES: C1=C(C=NS1)C#N
Structure:
CAS RN: 3907-06-0
CAS Name: 3,3-dimethylcyclopropene
OPENEYE Name: 3,3-dimethylcyclopropene
IUPAC Name: 3,3-dimethylcyclopropene
SYSTEMATIC NAME: 3,3-dimethylcyclopropene
MOLECULAR FORMULA: C5H8
MOLECULAR WEIGHT: 68.11702
SMILES: CC1(C=C1)C
Structure:
CAS RN: 3899-71-6
CAS Name: 1,1,2,2-tetrafluorocyclopropane
OPENEYE Name: 1,1,2,2-tetrafluorocyclopropane
IUPAC Name: 1,1,2,2-tetrafluorocyclopropane
SYSTEMATIC NAME: 1,1,2,2-tetrakis(fluoranyl)cyclopropane
MOLECULAR FORMULA: C3H2F4
MOLECULAR WEIGHT: 114.041593
SMILES: C1C(C1(F)F)(F)F
Structure:
CAS RN: 3897-15-2
CAS Name: 1-methyl-5-phenyl-5H-4,1-benzoxazepin-2-one
OPENEYE Name: 1-methyl-5-phenyl-5H-4,1-benzoxazepin-2-one
IUPAC Name: 1-methyl-5-phenyl-5H-4,1-benzoxazepin-2-one
SYSTEMATIC NAME: 1-methyl-5-phenyl-5H-4,1-benzoxazepin-2-one
MOLECULAR FORMULA: C16H15NO2
MOLECULAR WEIGHT: 253.2958
SMILES: CN1C(=O)COC(C2=CC=CC=C21)C3=CC=CC=C3
Structure:
CAS RN: 3896-29-5
CAS Name: N-(2,6-difluorophenyl)acetamide
OPENEYE Name: N-(2,6-difluorophenyl)acetamide
IUPAC Name: N-(2,6-difluorophenyl)acetamide
SYSTEMATIC NAME: N-[2,6-bis(fluoranyl)phenyl]ethanamide
MOLECULAR FORMULA: C8H7F2NO
MOLECULAR WEIGHT: 171.144086
SMILES: CC(=O)NC1=C(C=CC=C1F)F
Structure:
CAS RN: 3896-19-3
CAS Name: bis(2-methylpropyl)diazene
OPENEYE Name: diisobutyldiazene
IUPAC Name: bis(2-methylpropyl)diazene
SYSTEMATIC NAME: bis(2-methylpropyl)diazene
MOLECULAR FORMULA: C8H18N2
MOLECULAR WEIGHT: 142.24192
SMILES: CC(C)CN=NCC(C)C
Structure:
CAS RN: 3889-74-5
CAS Name: cyclopentane
OPENEYE Name: cyclopentane
IUPAC Name: cyclopentane
SYSTEMATIC NAME: cyclopentane
MOLECULAR FORMULA: C5H9
MOLECULAR WEIGHT: 69.12496
SMILES: C1CC[CH]C1
Structure:
CAS RN: 3887-13-6
CAS Name: 2-[[2-[[2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]acetic acid
OPENEYE Name: 2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
IUPAC Name: 2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid
MOLECULAR FORMULA: C12H20N6O7
MOLECULAR WEIGHT: 360.3232
SMILES: C(C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O)N
Structure:
CAS RN: 3880-04-4
CAS Name: 2,2,2,4,4,4-hexafluoro-1,3-dimethyl-1,3,2$l^{5},4$l^{5}-diazadiphosphetidine
OPENEYE Name: 2,2,2,4,4,4-hexafluoro-1,3-dimethyl-1,3,2$l^{5},4$l^{5}-diazadiphosphetidine
IUPAC Name: 2,2,2,4,4,4-hexafluoro-1,3-dimethyl-1,3,2$l^{5},4$l^{5}-diazadiphosphetidine
SYSTEMATIC NAME: 2,2,2,4,4,4-hexakis(fluoranyl)-1,3-dimethyl-1,3,2$l^{5},4$l^{5}-diazadiphosphetidine
MOLECULAR FORMULA: C2H6F6N2P2
MOLECULAR WEIGHT: 234.020381
SMILES: CN1P(N(P1(F)(F)F)C)(F)(F)F
Structure:
CAS RN: 3878-46-4
CAS Name: carbonic acid ethyl phenyl ester
OPENEYE Name: ethyl phenyl carbonate
IUPAC Name: ethyl phenyl carbonate
SYSTEMATIC NAME: ethyl phenyl carbonate
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CCOC(=O)OC1=CC=CC=C1
Structure:
CAS RN: 3857-17-8
CAS Name: 2-propyloxane
OPENEYE Name: 2-propyltetrahydropyran
IUPAC Name: 2-propyloxane
SYSTEMATIC NAME: 2-propyloxane
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CCCC1CCCCO1
Structure:
CAS RN: 3857-03-2
CAS Name: difluoro(propan-2-yl)borane
OPENEYE Name: difluoro(isopropyl)borane
IUPAC Name: difluoro(propan-2-yl)borane
SYSTEMATIC NAME: bis(fluoranyl)-propan-2-yl-borane
MOLECULAR FORMULA: C3H7BF2
MOLECULAR WEIGHT: 91.895486
SMILES: B(C(C)C)(F)F
Structure:
CAS RN: 3854-90-8
CAS Name: 3,5-diethylbenzoic acid
OPENEYE Name: 3,5-diethylbenzoic acid
IUPAC Name: 3,5-diethylbenzoic acid
SYSTEMATIC NAME: 3,5-diethylbenzoic acid
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CCC1=CC(=CC(=C1)C(=O)O)CC
Structure:
CAS RN: 3853-27-8
CAS Name: 1,2,3-trimethylcyclopenta-1,3-diene
OPENEYE Name: 1,2,3-trimethylcyclopenta-1,3-diene
IUPAC Name: 1,2,3-trimethylcyclopenta-1,3-diene
SYSTEMATIC NAME: 1,2,3-trimethylcyclopenta-1,3-diene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: CC1=C(C(=CC1)C)C
Structure:
CAS RN: 3839-50-7
CAS Name: 5-ethylidenecyclopenta-1,3-diene
OPENEYE Name: 5-ethylidenecyclopenta-1,3-diene
IUPAC Name: 5-ethylidenecyclopenta-1,3-diene
SYSTEMATIC NAME: 5-ethylidenecyclopenta-1,3-diene
MOLECULAR FORMULA: C7H8
MOLECULAR WEIGHT: 92.13842
SMILES: CC=C1C=CC=C1
Structure:
CAS RN: 3839-22-3
CAS Name: 2-cyanobenzoic acid
OPENEYE Name: 2-cyanobenzoic acid
IUPAC Name: 2-cyanobenzoic acid
SYSTEMATIC NAME: 2-cyanobenzoic acid
MOLECULAR FORMULA: C8H5NO2
MOLECULAR WEIGHT: 147.1308
SMILES: C1=CC=C(C(=C1)C#N)C(=O)O
Structure:
CAS RN: 31227-64-2
CAS Name: 2-cyanobenzoic acid
OPENEYE Name: 2-cyanobenzoic acid
IUPAC Name: 2-cyanobenzoic acid
SYSTEMATIC NAME: 2-cyanobenzoic acid
MOLECULAR FORMULA: C8H5NO2
MOLECULAR WEIGHT: 147.1308
SMILES: C1=CC=C(C(=C1)C#N)C(=O)O
Structure:
CAS RN: 3835-64-1
CAS Name: 2,2-dimethyl-1-phenyl-1-propanol
OPENEYE Name: 2,2-dimethyl-1-phenyl-propan-1-ol
IUPAC Name: 2,2-dimethyl-1-phenylpropan-1-ol
SYSTEMATIC NAME: 2,2-dimethyl-1-phenyl-propan-1-ol
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: CC(C)(C)C(C1=CC=CC=C1)O
Structure:
CAS RN: 3817-57-0
CAS Name: methylenecyclodecane
OPENEYE Name: methylenecyclodecane
IUPAC Name: methylidenecyclodecane
SYSTEMATIC NAME: methylidenecyclodecane
MOLECULAR FORMULA: C11H20
MOLECULAR WEIGHT: 152.2765
SMILES: C=C1CCCCCCCCC1
Structure:
CAS RN: 3807-53-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H4O2S3
MOLECULAR WEIGHT: 228.31116
SMILES: C1=CSC2=C1S(=O)(=O)C3=C2SC=C3
Structure:
CAS RN: 3807-38-3
CAS Name: 3-(3-thiophenylthio)thiophene
OPENEYE Name: 3-(3-thienylsulfanyl)thiophene
IUPAC Name: 3-thiophen-3-ylsulfanylthiophene
SYSTEMATIC NAME: 3-thiophen-3-ylsulfanylthiophene
MOLECULAR FORMULA: C8H6S3
MOLECULAR WEIGHT: 198.32824
SMILES: C1=CSC=C1SC2=CSC=C2
Structure:
CAS RN: 3796-24-5
CAS Name: 4-(trifluoromethyl)pyridine
OPENEYE Name: 4-(trifluoromethyl)pyridine
IUPAC Name: 4-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 4-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C6H4F3N
MOLECULAR WEIGHT: 147.09787
SMILES: C1=CN=CC=C1C(F)(F)F
Structure:
CAS RN: 3795-76-4
CAS Name: 2-methyl-4-(methylthio)phenol
OPENEYE Name: 2-methyl-4-methylsulfanyl-phenol
IUPAC Name: 2-methyl-4-methylsulfanylphenol
SYSTEMATIC NAME: 2-methyl-4-methylsulfanyl-phenol
MOLECULAR FORMULA: C8H10OS
MOLECULAR WEIGHT: 154.2294
SMILES: CC1=C(C=CC(=C1)SC)O
Structure:
CAS RN: 3794-15-8
CAS Name: 1-fluoro-2-(phenylmethyl)benzene
OPENEYE Name: 1-benzyl-2-fluoro-benzene
IUPAC Name: 1-benzyl-2-fluorobenzene
SYSTEMATIC NAME: 1-fluoranyl-2-(phenylmethyl)benzene
MOLECULAR FORMULA: C13H11F
MOLECULAR WEIGHT: 186.224843
SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2F
Structure:
CAS RN: 3788-56-5
CAS Name: 9-hydroxynonanoic acid
OPENEYE Name: 9-hydroxynonanoic acid
IUPAC Name: 9-hydroxynonanoic acid
SYSTEMATIC NAME: 9-oxidanylnonanoic acid
MOLECULAR FORMULA: C9H18O3
MOLECULAR WEIGHT: 174.23742
SMILES: C(CCCCO)CCCC(=O)O
Structure:
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