Product OPENEYE NAME: [8-[(2S)-2,3-dihydroxy-3-methyl-butyl]-2-oxo-chromen-7-yl] 4-nitrobenzenesulfonate
CAS Name: 4-nitrobenzenesulfonic acid [8-[(2S)-2,3-dihydroxy-3-methylbutyl]-2-oxo-1-benzopyran-7-yl] ester
IUPAC NAME: [8-[(2S)-2,3-dihydroxy-3-methylbutyl]-2-oxochromen-7-yl] 4-nitrobenzenesulfonate
SYSTEMATIC NAME: [8-[(2S)-3-methyl-2,3-bis(oxidanyl)butyl]-2-oxidanylidene-chromen-7-yl] 4-nitrobenzenesulfonate
MOLECULAR FORMULA: C20H19NO9S
MOLECULAR WEIGHT: 449.43116
SMILES: CC(C)([C@H](CC1=C(C=CC2=C1OC(=O)C=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])O)O
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MOLECULAR FORMULA: C52H82N8O17
MOLECULAR WEIGHT: 1091.25088
SMILES: CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1[C@H]2C[C@@H]([C@@H]1C(=O)NCCNC(=O)OC(C)(C)C)[C@H]3[C@@H]2C4([C@H]5[C@H]6C[C@@H]([C@H]5C3(O4)C(=O)OC)[C@H]([C@H]6C(=O)NCCNC(=O)OC(C)(C)C)C(=O)NCCNC(=O)OC(C)(C)C)C(=O)OC
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Product OPENEYE NAME: 2-ethyl-[1,2,4]triazolo[4,3-a]pyridine-3-selone
CAS Name: 2-ethyl-[1,2,4]triazolo[4,3-a]pyridine-3-selone
IUPAC NAME: 2-ethyl-[1,2,4]triazolo[4,3-a]pyridine-3-selone
SYSTEMATIC NAME: 2-ethyl-[1,2,4]triazolo[4,3-a]pyridine-3-selone
MOLECULAR FORMULA: C8H9N3Se
MOLECULAR WEIGHT: 226.13716
SMILES: CCN1C(=[Se])N2C=CC=CC2=N1
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Product OPENEYE NAME: N-[(E)-ethylideneamino]pyridin-2-amine
CAS Name: N-[(E)-ethylideneamino]-2-pyridinamine
IUPAC NAME: N-[(E)-ethylideneamino]pyridin-2-amine
SYSTEMATIC NAME: N-[(E)-ethylideneamino]pyridin-2-amine
MOLECULAR FORMULA: C7H9N3
MOLECULAR WEIGHT: 135.16646
SMILES: C/C=N/NC1=CC=CC=N1
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Product OPENEYE NAME: 2,3-diethyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium tetrafluoroborate
CAS Name: 2,3-diethyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium tetrafluoroborate
IUPAC NAME: 2,3-diethyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium tetrafluoroborate
SYSTEMATIC NAME: 2,3-diethyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium tetrafluoroborate
MOLECULAR FORMULA: C10H14BF4N3
MOLECULAR WEIGHT: 263.042873
SMILES: [B-](F)(F)(F)F.CCC1=[N+]2C=CC=CC2=NN1CC
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Product OPENEYE NAME: 2,3-diethyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium
CAS Name: 2,3-diethyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium
IUPAC NAME: 2,3-diethyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium
SYSTEMATIC NAME: 2,3-diethyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium
MOLECULAR FORMULA: C10H14N3+
MOLECULAR WEIGHT: 176.23826
SMILES: CCC1=[N+]2C=CC=CC2=NN1CC
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Product OPENEYE NAME: ethyl (E)-4-ethoxy-3-(4-methylbenzoyl)-2-oxo-but-3-enoate
CAS Name: (E)-4-ethoxy-3-[(4-methylphenyl)-oxomethyl]-2-oxo-3-butenoic acid ethyl ester
IUPAC NAME: ethyl (E)-4-ethoxy-3-(4-methylbenzoyl)-2-oxobut-3-enoate
SYSTEMATIC NAME: ethyl (E)-4-ethoxy-3-(4-methylphenyl)carbonyl-2-oxidanylidene-but-3-enoate
MOLECULAR FORMULA: C16H18O5
MOLECULAR WEIGHT: 290.31112
SMILES: CCO/C=C(\C(=O)C1=CC=C(C=C1)C)/C(=O)C(=O)OCC
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Product OPENEYE NAME: ethyl (E)-4-ethoxy-3-(4-methoxybenzoyl)-2-oxo-but-3-enoate
CAS Name: (E)-4-ethoxy-3-[(4-methoxyphenyl)-oxomethyl]-2-oxo-3-butenoic acid ethyl ester
IUPAC NAME: ethyl (E)-4-ethoxy-3-(4-methoxybenzoyl)-2-oxobut-3-enoate
SYSTEMATIC NAME: ethyl (E)-4-ethoxy-3-(4-methoxyphenyl)carbonyl-2-oxidanylidene-but-3-enoate
MOLECULAR FORMULA: C16H18O6
MOLECULAR WEIGHT: 306.31052
SMILES: CCO/C=C(\C(=O)C1=CC=C(C=C1)OC)/C(=O)C(=O)OCC
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Product OPENEYE NAME: [(1R,2R,3S,4S,5R)-5-benzoyloxy-3,4-dibenzyloxy-2-hydroxy-cyclohexyl] benzoate
CAS Name: benzoic acid [(1R,2R,3S,4S,5R)-5-benzoyloxy-2-hydroxy-3,4-bis(phenylmethoxy)cyclohexyl] ester
IUPAC NAME: [(1R,2R,3S,4S,5R)-5-benzoyloxy-2-hydroxy-3,4-bis(phenylmethoxy)cyclohexyl] benzoate
SYSTEMATIC NAME: [(1R,2R,3S,4S,5R)-2-oxidanyl-5-(phenylcarbonyloxy)-3,4-bis(phenylmethoxy)cyclohexyl] benzoate
MOLECULAR FORMULA: C34H32O7
MOLECULAR WEIGHT: 552.61368
SMILES: C1[C@H]([C@H]([C@@H]([C@H]([C@@H]1OC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O)OC(=O)C5=CC=CC=C5
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Product OPENEYE NAME: (1R,2R,3S,4S,5S)-2-allyloxy-3-benzyloxy-5-methoxy-7-oxabicyclo[2.2.1]heptane
CAS Name: (1R,2R,3S,4S,5S)-5-methoxy-3-phenylmethoxy-2-prop-2-enoxy-7-oxabicyclo[2.2.1]heptane
IUPAC NAME: (1R,2R,3S,4S,5S)-5-methoxy-3-phenylmethoxy-2-prop-2-enoxy-7-oxabicyclo[2.2.1]heptane
SYSTEMATIC NAME: (1R,2R,3S,4S,5S)-5-methoxy-3-phenylmethoxy-2-prop-2-enoxy-7-oxabicyclo[2.2.1]heptane
MOLECULAR FORMULA: C17H22O4
MOLECULAR WEIGHT: 290.35418
SMILES: CO[C@H]1C[C@@H]2[C@H]([C@@H]([C@H]1O2)OCC3=CC=CC=C3)OCC=C
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Product OPENEYE NAME: (1R,3S,4R,5R,6S)-4-[(2R,3R,4R,5R,6R)-3-azido-6-(azidomethyl)-4,5-dibenzyloxy-tetrahydropyran-2-yl]oxy-5,6-dibenzyloxy-cyclohexane-1,3-diol
CAS Name: (1R,3S,4R,5R,6S)-4-[[(2R,3R,4R,5R,6R)-3-azido-6-(azidomethyl)-4,5-bis(phenylmethoxy)-2-oxanyl]oxy]-5,6-bis(phenylmethoxy)cyclohexane-1,3-diol
IUPAC NAME: (1R,3S,4R,5R,6S)-4-[(2R,3R,4R,5R,6R)-3-azido-6-(azidomethyl)-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-5,6-bis(phenylmethoxy)cyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,4R,5R,6S)-4-[(2R,3R,4R,5R,6R)-3-azido-6-(azidomethyl)-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-5,6-bis(phenylmethoxy)cyclohexane-1,3-diol
MOLECULAR FORMULA: C40H44N6O8
MOLECULAR WEIGHT: 736.81276
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN=[N+]=[N-])OCC3=CC=CC=C3)OCC4=CC=CC=C4)N=[N+]=[N-])OCC5=CC=CC=C5)OCC6=CC=CC=C6)O
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Product OPENEYE NAME: (1S,2R,3R,4S,5S)-2-[(2R,3R,4R,5R,6R)-3-azido-6-(azidomethyl)-4,5-dibenzyloxy-tetrahydropyran-2-yl]oxy-3,4-dibenzyloxy-5-methoxy-cyclohexanol
CAS Name: (1S,2R,3R,4S,5S)-2-[[(2R,3R,4R,5R,6R)-3-azido-6-(azidomethyl)-4,5-bis(phenylmethoxy)-2-oxanyl]oxy]-5-methoxy-3,4-bis(phenylmethoxy)-1-cyclohexanol
IUPAC NAME: (1S,2R,3R,4S,5S)-2-[(2R,3R,4R,5R,6R)-3-azido-6-(azidomethyl)-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-5-methoxy-3,4-bis(phenylmethoxy)cyclohexan-1-ol
SYSTEMATIC NAME: (1S,2R,3R,4S,5S)-2-[(2R,3R,4R,5R,6R)-3-azido-6-(azidomethyl)-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-5-methoxy-3,4-bis(phenylmethoxy)cyclohexan-1-ol
MOLECULAR FORMULA: C41H46N6O8
MOLECULAR WEIGHT: 750.83934
SMILES: CO[C@H]1C[C@@H]([C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CN=[N+]=[N-])OCC5=CC=CC=C5)OCC6=CC=CC=C6)N=[N+]=[N-])O
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MOLECULAR FORMULA: C30H48O4
MOLECULAR WEIGHT: 472.69972
SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2[C@H](C[C@@H]5[C@]3(C4)CC[C@@H]([C@@]5(C)C(=O)O)O)O)C)C
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Product OPENEYE NAME: [(2R,3S,4S,5R,6S)-6-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxy-phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate
CAS Name: 3,4,5-trihydroxybenzoic acid [(2R,3S,4S,5R,6S)-6-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3S,4S,5R,6S)-6-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6S)-6-[4-[(3S,3aR,6S,6aR)-3-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxy-phenoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C33H36O15
MOLECULAR WEIGHT: 672.62994
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)O)OC)O
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Product OPENEYE NAME: (1S,5R,8R)-1,5-dimethyl-8-[(3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxybutyl]-6-oxabicyclo[3.2.1]octan-3-one
CAS Name: (1S,5R,8R)-1,5-dimethyl-8-[(3R)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]butyl]-6-oxabicyclo[3.2.1]octan-3-one
IUPAC NAME: (1S,5R,8R)-1,5-dimethyl-8-[(3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-6-oxabicyclo[3.2.1]octan-3-one
SYSTEMATIC NAME: (1S,5R,8R)-8-[(3R)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxybutyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one
MOLECULAR FORMULA: C19H32O8
MOLECULAR WEIGHT: 388.45258
SMILES: C[C@H](CC[C@@H]1[C@@]2(CC(=O)C[C@]1(OC2)C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
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MOLECULAR FORMULA: C27H32O9
MOLECULAR WEIGHT: 500.53758
SMILES: C[C@@]12CC[C@@H]3[C@@]4([C@H]([C@@]5(C[C@@]4([C@H]6[C@@]3([C@]1(CC(=O)O[C@H]2C7=COC=C7)O[C@H]6C5=O)O)O)C)CC(=O)OC)C
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MOLECULAR FORMULA: C27H32O11
MOLECULAR WEIGHT: 532.53638
SMILES: C[C@@]12CC[C@@H]3[C@@]4([C@H]([C@@]5(C[C@@]4([C@H]6[C@@]3([C@]1(CC(=O)O[C@H]2C7=COC=C7)O[C@]6(C5=O)O)O)O)C)[C@H](C(=O)OC)O)C
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Product OPENEYE NAME: [(1S)-1,3-dicyclohexylprop-2-ynyl] methyl carbonate
CAS Name: carbonic acid [(1S)-1,3-dicyclohexylprop-2-ynyl] methyl ester
IUPAC NAME: [(1S)-1,3-dicyclohexylprop-2-ynyl] methyl carbonate
SYSTEMATIC NAME: [(1S)-1,3-dicyclohexylprop-2-ynyl] methyl carbonate
MOLECULAR FORMULA: C17H26O3
MOLECULAR WEIGHT: 278.38654
SMILES: COC(=O)O[C@H](C#CC1CCCCC1)C2CCCCC2
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Product OPENEYE NAME: 3-cyclohexylpropa-1,2-dienylcyclohexane
CAS Name: 3-cyclohexylpropa-1,2-dienylcyclohexane
IUPAC NAME: 3-cyclohexylpropa-1,2-dienylcyclohexane
SYSTEMATIC NAME: 3-cyclohexylpropa-1,2-dienylcyclohexane
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: C1CCC(CC1)C=C=CC2CCCCC2
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Product OPENEYE NAME: (4-methoxycarbonyloxy-4-methyl-dec-5-ynyl) benzoate
CAS Name: benzoic acid (4-methoxycarbonyloxy-4-methyldec-5-ynyl) ester
IUPAC NAME: (4-methoxycarbonyloxy-4-methyldec-5-ynyl) benzoate
SYSTEMATIC NAME: (4-methoxycarbonyloxy-4-methyl-dec-5-ynyl) benzoate
MOLECULAR FORMULA: C20H26O5
MOLECULAR WEIGHT: 346.41744
SMILES: CCCCC#CC(C)(CCCOC(=O)C1=CC=CC=C1)OC(=O)OC
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Product OPENEYE NAME: 4-methyldeca-4,5-dienyl benzoate
CAS Name: benzoic acid 4-methyldeca-4,5-dienyl ester
IUPAC NAME: 4-methyldeca-4,5-dienyl benzoate
SYSTEMATIC NAME: 4-methyldeca-4,5-dienyl benzoate
MOLECULAR FORMULA: C18H24O2
MOLECULAR WEIGHT: 272.38196
SMILES: CCCCC=C=C(C)CCCOC(=O)C1=CC=CC=C1
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Product OPENEYE NAME: [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] (3R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylene-pentanoate
CAS Name: (3R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylenepentanoic acid 1,1,1,3,3,3-hexafluoropropan-2-yl ester
IUPAC NAME: 1,1,1,3,3,3-hexafluoropropan-2-yl (3R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate
SYSTEMATIC NAME: 1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl (3R)-5-[(4-methoxyphenyl)methoxy]-2-methylidene-3-oxidanyl-pentanoate
MOLECULAR FORMULA: C17H18F6O5
MOLECULAR WEIGHT: 416.312239
SMILES: COC1=CC=C(C=C1)COCC[C@H](C(=C)C(=O)OC(C(F)(F)F)C(F)(F)F)O
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Product OPENEYE NAME: (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2-methylene-pentan-1-ol
CAS Name: (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2-methylene-1-pentanol
IUPAC NAME: (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentan-1-ol
SYSTEMATIC NAME: (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2-methylidene-pentan-1-ol
MOLECULAR FORMULA: C20H34O4Si
MOLECULAR WEIGHT: 366.56706
SMILES: CC(C)(C)[Si](C)(C)O[C@H](CCOCC1=CC=C(C=C1)OC)C(=C)CO
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