CAS RN: 72013-84-4
CAS Name: 2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan
OPENEYE Name: 2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan
IUPAC Name: 2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan
SYSTEMATIC NAME: 2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan
MOLECULAR FORMULA: C14H26O
MOLECULAR WEIGHT: 210.35564
SMILES: C1CCCCCC2C(CCCC1)CCO2
Structure:
CAS RN: 35549-47-4
CAS Name: 3-(2-pyridinyl)propanenitrile
OPENEYE Name: 3-(2-pyridyl)propanenitrile
IUPAC Name: 3-pyridin-2-ylpropanenitrile
SYSTEMATIC NAME: 3-pyridin-2-ylpropanenitrile
MOLECULAR FORMULA: C8H8N2
MOLECULAR WEIGHT: 132.16252
SMILES: C1=CC=NC(=C1)CCC#N
Structure:
CAS RN: 2239-83-0
CAS Name: (2-methyl-5-pyrimidinyl)methanol
OPENEYE Name: (2-methylpyrimidin-5-yl)methanol
IUPAC Name: (2-methylpyrimidin-5-yl)methanol
SYSTEMATIC NAME: (2-methylpyrimidin-5-yl)methanol
MOLECULAR FORMULA: C6H8N2O
MOLECULAR WEIGHT: 124.14052
SMILES: CC1=NC=C(C=N1)CO
Structure:
CAS RN: 130753-13-8
CAS Name: 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
IUPAC Name: benzyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 3-oxidanylidene-8-azabicyclo[3.2.1]octane-8-carboxylate
MOLECULAR FORMULA: C15H17NO3
MOLECULAR WEIGHT: 259.30038
SMILES: C1CC2CC(=O)CC1N2C(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 36321-41-2
CAS Name: ammonia; 3-pyridinecarboxylic acid
OPENEYE Name: ammonia; nicotinic acid
IUPAC Name: azane; pyridine-3-carboxylic acid
SYSTEMATIC NAME: azane; pyridine-3-carboxylic acid
MOLECULAR FORMULA: C6H8N2O2
MOLECULAR WEIGHT: 140.13992
SMILES: C1=CC(=CN=C1)C(=O)O.N
Structure:
CAS RN: 38061-69-7
CAS Name: 4-methyl-3-isoxazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-methylisoxazole-3-carboxylate
IUPAC Name: ethyl 4-methyl-1,2-oxazole-3-carboxylate
SYSTEMATIC NAME: ethyl 4-methyl-1,2-oxazole-3-carboxylate
MOLECULAR FORMULA: C7H9NO3
MOLECULAR WEIGHT: 155.15126
SMILES: CCOC(=O)C1=NOC=C1C
Structure:
CAS RN: 103010-40-8
CAS Name: (2E,4E,6E,8E)-3,7-dimethyl-9-[2-nonoxy-6-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenoic acid ethyl ester
OPENEYE Name: ethyl (2E,4E,6E,8E)-3,7-dimethyl-9-[2-nonoxy-6-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenoate
IUPAC Name: ethyl (2E,4E,6E,8E)-3,7-dimethyl-9-[2-nonoxy-6-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenoate
SYSTEMATIC NAME: ethyl (2E,4E,6E,8E)-3,7-dimethyl-9-[2-nonoxy-6-(trifluoromethyl)phenyl]nona-2,4,6,8-tetraenoate
MOLECULAR FORMULA: C29H39F3O3
MOLECULAR WEIGHT: 492.61337
SMILES: CCCCCCCCCOC1=CC=CC(=C1/C=C/C(=C/C=C/C(=C/C(=O)OCC)/C)/C)C(F)(F)F
Structure:
CAS RN: 79722-09-1
CAS Name: N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(1S)-2-(benzyloxyamino)-1-methyl-2-oxo-ethyl]carbamate
IUPAC Name: tert-butyl N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S)-1-oxidanylidene-1-(phenylmethoxyamino)propan-2-yl]carbamate
MOLECULAR FORMULA: C15H22N2O4
MOLECULAR WEIGHT: 294.34618
SMILES: C[C@@H](C(=O)NOCC1=CC=CC=C1)NC(=O)OC(C)(C)C
Structure:
CAS RN: 3209-40-3
CAS Name: 5-(chloromethyl)-3-isoxazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-(chloromethyl)isoxazole-3-carboxylate
IUPAC Name: ethyl 5-(chloromethyl)-1,2-oxazole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-(chloromethyl)-1,2-oxazole-3-carboxylate
MOLECULAR FORMULA: C7H8ClNO3
MOLECULAR WEIGHT: 189.59632
SMILES: CCOC(=O)C1=NOC(=C1)CCl
Structure:
CAS RN: 149452-43-7
CAS Name: (3,4-difluorophenyl)-(4-piperidinyl)methanone
OPENEYE Name: (3,4-difluorophenyl)-(4-piperidyl)methanone
IUPAC Name: (3,4-difluorophenyl)-piperidin-4-ylmethanone
SYSTEMATIC NAME: [3,4-bis(fluoranyl)phenyl]-piperidin-4-yl-methanone
MOLECULAR FORMULA: C12H13F2NO
MOLECULAR WEIGHT: 225.234526
SMILES: C1CNCCC1C(=O)C2=CC(=C(C=C2)F)F
Structure:
CAS RN: 52200-21-2
CAS Name: (E)-3-(dimethylamino)-2-[2-furanyl(oxo)methyl]-2-propenenitrile
OPENEYE Name: (E)-3-(dimethylamino)-2-(furan-2-carbonyl)prop-2-enenitrile
IUPAC Name: (E)-3-(dimethylamino)-2-(furan-2-carbonyl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-(dimethylamino)-2-(furan-2-ylcarbonyl)prop-2-enenitrile
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: CN(C)/C=C(\C#N)/C(=O)C1=CC=CO1
Structure:
CAS RN: 57960-31-3
CAS Name: 3-dodecyl-4-hydroxynaphthalene-1,2-dione
OPENEYE Name: 3-dodecyl-4-hydroxy-naphthalene-1,2-dione
IUPAC Name: 3-dodecyl-4-hydroxynaphthalene-1,2-dione
SYSTEMATIC NAME: 3-dodecyl-4-oxidanyl-naphthalene-1,2-dione
MOLECULAR FORMULA: C22H30O3
MOLECULAR WEIGHT: 342.4718
SMILES: CCCCCCCCCCCCC1=C(C2=CC=CC=C2C(=O)C1=O)O
Structure:
CAS RN: 78448-33-6
CAS Name: 2-methyl-1-propan-2-yloxypropane
OPENEYE Name: 1-isopropoxy-2-methyl-propane
IUPAC Name: 2-methyl-1-propan-2-yloxypropane
SYSTEMATIC NAME: 2-methyl-1-propan-2-yloxy-propane
MOLECULAR FORMULA: C7H16O
MOLECULAR WEIGHT: 116.20134
SMILES: CC(C)COC(C)C
Structure:
CAS RN: 13863-49-5
CAS Name: dysprosium(3+) phosphate
OPENEYE Name: dysprosium(3+) phosphate
IUPAC Name: dysprosium(3+) phosphate
SYSTEMATIC NAME: dysprosium(3+) phosphate
MOLECULAR FORMULA: DyO4P
MOLECULAR WEIGHT: 257.471361
SMILES: [O-]P(=O)([O-])[O-].[Dy+3]
Structure:
CAS RN: 18957-59-0
CAS Name: zinc (E)-3-phenyl-2-propenoate
OPENEYE Name: zinc (E)-3-phenylprop-2-enoate
IUPAC Name: zinc (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: zinc (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C18H14O4Zn
MOLECULAR WEIGHT: 359.71036
SMILES: C1=CC=C(C=C1)/C=C/C(=O)[O-].C1=CC=C(C=C1)/C=C/C(=O)[O-].[Zn+2]
Structure:
CAS RN: 2788-11-6
CAS Name: phosphoric acid tris(2,4-dibromophenyl) ester
OPENEYE Name: tris(2,4-dibromophenyl) phosphate
IUPAC Name: tris(2,4-dibromophenyl) phosphate
SYSTEMATIC NAME: tris[2,4-bis(bromanyl)phenyl] phosphate
MOLECULAR FORMULA: C18H9Br6O4P
MOLECULAR WEIGHT: 799.659421
SMILES: C1=CC(=C(C=C1Br)Br)OP(=O)(OC2=C(C=C(C=C2)Br)Br)OC3=C(C=C(C=C3)Br)Br
Structure:
CAS RN: 110845-57-3
CAS Name: 7-amino-3-(2-sulfooxyethylsulfonyl)-1-naphthalenesulfonic acid
OPENEYE Name: 7-amino-3-(2-sulfooxyethylsulfonyl)naphthalene-1-sulfonic acid
IUPAC Name: 7-amino-3-(2-sulfooxyethylsulfonyl)naphthalene-1-sulfonic acid
SYSTEMATIC NAME: 7-azanyl-3-(2-sulfooxyethylsulfonyl)naphthalene-1-sulfonic acid
MOLECULAR FORMULA: C12H13NO9S3
MOLECULAR WEIGHT: 411.42792
SMILES: C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)N
Structure:
CAS RN: 84604-75-1
CAS Name: 2H-benzotriazole; N-butyl-1-butanamine
OPENEYE Name: 2H-benzotriazole; N-butylbutan-1-amine
IUPAC Name: 2H-benzotriazole; N-butylbutan-1-amine
SYSTEMATIC NAME: 2H-benzotriazole; N-butylbutan-1-amine
MOLECULAR FORMULA: C14H24N4
MOLECULAR WEIGHT: 248.36716
SMILES: CCCCNCCCC.C1=CC2=NNN=C2C=C1
Structure:
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