CAS RN: 129944-99-6
CAS Name: (2R,3R)-7-ethyl-3-[(3-hydroxyphenyl)-oxomethoxy]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
OPENEYE Name: (2R,3R)-7-ethyl-3-(3-hydroxybenzoyl)oxy-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
IUPAC Name: (2R,3R)-7-ethyl-3-(3-hydroxybenzoyl)oxy-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2R,3R)-7-ethyl-3-(3-hydroxyphenyl)carbonyloxy-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
MOLECULAR FORMULA: C16H19NO5
MOLECULAR WEIGHT: 305.32576
SMILES: CCN1C2CCC1[C@@H]([C@@H]2C(=O)O)OC(=O)C3=CC(=CC=C3)O
Structure:
CAS RN: 131483-44-8
CAS Name: (1R,3R,4R,5R,6R)-3-[[(1R,3R,4R,5R,6R)-4,5-dihydroxy-2,7-dioxabicyclo[4.2.0]octan-3-yl]oxy]-2,7-dioxabicyclo[4.2.0]octane-4,5-diol
OPENEYE Name: (1R,3R,4R,5R,6R)-3-[[(1R,3R,4R,5R,6R)-4,5-dihydroxy-2,7-dioxabicyclo[4.2.0]octan-3-yl]oxy]-2,7-dioxabicyclo[4.2.0]octane-4,5-diol
IUPAC Name: (1R,3R,4R,5R,6R)-3-[[(1R,3R,4R,5R,6R)-4,5-dihydroxy-2,7-dioxabicyclo[4.2.0]octan-3-yl]oxy]-2,7-dioxabicyclo[4.2.0]octane-4,5-diol
SYSTEMATIC NAME: (1R,3R,4R,5R,6R)-3-[[(1R,3R,4R,5R,6R)-4,5-bis(oxidanyl)-2,7-dioxabicyclo[4.2.0]octan-3-yl]oxy]-2,7-dioxabicyclo[4.2.0]octane-4,5-diol
MOLECULAR FORMULA: C12H18O9
MOLECULAR WEIGHT: 306.26592
SMILES: C1[C@@H]2[C@H](O1)[C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]4[C@H](O3)CO4)O)O)O)O
Structure:
CAS RN: 131483-42-6
CAS Name: 4-[4-(dimethylamino)phenyl]azobenzenesulfinic acid
OPENEYE Name: 4-[4-(dimethylamino)phenyl]azobenzenesulfinic acid
IUPAC Name: 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfinic acid
SYSTEMATIC NAME: 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfinic acid
MOLECULAR FORMULA: C14H15N3O2S
MOLECULAR WEIGHT: 289.3528
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)O
Structure:
CAS RN: 80-59-1
CAS Name: (E)-2-methyl-2-butenoic acid
OPENEYE Name: (E)-2-methylbut-2-enoic acid
IUPAC Name: (E)-2-methylbut-2-enoic acid
SYSTEMATIC NAME: (E)-2-methylbut-2-enoic acid
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: C/C=C(\C)/C(=O)O
Structure:
CAS RN: 131320-81-5
CAS Name: acetic acid [2-(hydroxymethyl)-3-bicyclo[2.2.1]hept-5-enyl]methyl ester
OPENEYE Name: [2-(hydroxymethyl)-3-bicyclo[2.2.1]hept-5-enyl]methyl acetate
IUPAC Name: [2-(hydroxymethyl)-3-bicyclo[2.2.1]hept-5-enyl]methyl acetate
SYSTEMATIC NAME: [2-(hydroxymethyl)-3-bicyclo[2.2.1]hept-5-enyl]methyl ethanoate
MOLECULAR FORMULA: C11H16O3
MOLECULAR WEIGHT: 196.24294
SMILES: CC(=O)OCC1C2CC(C1CO)C=C2
Structure:
CAS RN: 131242-85-8
CAS Name: 2-[(3,4-dioxo-1-naphthalenyl)amino]benzamide
OPENEYE Name: 2-[(3,4-dioxo-1-naphthyl)amino]benzamide
IUPAC Name: 2-[(3,4-dioxonaphthalen-1-yl)amino]benzamide
SYSTEMATIC NAME: 2-[[3,4-bis(oxidanylidene)naphthalen-1-yl]amino]benzamide
MOLECULAR FORMULA: C17H12N2O3
MOLECULAR WEIGHT: 292.28878
SMILES: C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)N
Structure:
CAS RN: 131237-91-7
CAS Name: 5-methyl-2-thiolanimine hydrochloride
OPENEYE Name: 5-methyltetrahydrothiophen-2-imine hydrochloride
IUPAC Name: 5-methylthiolan-2-imine hydrochloride
SYSTEMATIC NAME: 5-methylthiolan-2-imine hydrochloride
MOLECULAR FORMULA: C5H10ClNS
MOLECULAR WEIGHT: 151.6576
SMILES: CC1CCC(=N)S1.Cl
Structure:
CAS RN: 131232-94-5
CAS Name: 1-[(2R,3S,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,3S,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,3S,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,3S,4S,5R)-3-azido-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H13N5O5
MOLECULAR WEIGHT: 283.24072
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[N-]
Structure:
CAS RN: 131230-67-6
CAS Name: 1-[2-(chloromethyl)phenyl]-3,3-difluoro-2-azetidinone
OPENEYE Name: 1-[2-(chloromethyl)phenyl]-3,3-difluoro-azetidin-2-one
IUPAC Name: 1-[2-(chloromethyl)phenyl]-3,3-difluoroazetidin-2-one
SYSTEMATIC NAME: 1-[2-(chloromethyl)phenyl]-3,3-bis(fluoranyl)azetidin-2-one
MOLECULAR FORMULA: C10H8ClF2NO
MOLECULAR WEIGHT: 231.626426
SMILES: C1C(C(=O)N1C2=CC=CC=C2CCl)(F)F
Structure:
CAS RN: 131195-83-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H13NO2
MOLECULAR WEIGHT: 227.25852
SMILES: CC1=CC(=O)N2C(=CC3=C(C=CC1=C32)OC)C
Structure:
CAS RN: 131147-39-2
CAS Name: 3-(1,1-difluoroethyl)-3-methyl-2-oxolanone
OPENEYE Name: 3-(1,1-difluoroethyl)-3-methyl-tetrahydrofuran-2-one
IUPAC Name: 3-(1,1-difluoroethyl)-3-methyloxolan-2-one
SYSTEMATIC NAME: 3-[1,1-bis(fluoranyl)ethyl]-3-methyl-oxolan-2-one
MOLECULAR FORMULA: C7H10F2O2
MOLECULAR WEIGHT: 164.149906
SMILES: CC1(CCOC1=O)C(C)(F)F
Structure:
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