Product OPENEYE NAME: [(2S,3E,4R)-3-benzylidene-1,7,7-trimethyl-norbornan-2-yl] acetate
CAS Name: acetic acid [(1R,2E,3S)-4,7,7-trimethyl-2-(phenylmethylene)-3-bicyclo[2.2.1]heptanyl] ester
IUPAC NAME: [(1R,2E,3S)-2-benzylidene-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] acetate
SYSTEMATIC NAME: [(1R,2E,3S)-4,7,7-trimethyl-2-(phenylmethylidene)-3-bicyclo[2.2.1]heptanyl] ethanoate
MOLECULAR FORMULA: C19H24O2
MOLECULAR WEIGHT: 284.39266
SMILES: CC(=O)O[C@H]1/C(=C/C2=CC=CC=C2)/[C@@H]3CCC1(C3(C)C)C
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Product OPENEYE NAME: [(2R,3S,4R)-1,7,7-trimethyl-3'-phenyl-spiro[norbornane-3,2'-oxirane]-2-yl] acetate
CAS Name: acetic acid [(1R,2S,3R)-4,7,7-trimethyl-3'-phenyl-3-spiro[bicyclo[2.2.1]heptane-2,2'-oxirane]yl] ester
IUPAC NAME: [(1R,2S,3R)-4,7,7-trimethyl-3'-phenylspiro[bicyclo[2.2.1]heptane-2,2'-oxirane]-3-yl] acetate
SYSTEMATIC NAME: [(1R,2S,3R)-4,7,7-trimethyl-3'-phenyl-spiro[bicyclo[2.2.1]heptane-2,2'-oxirane]-3-yl] ethanoate
MOLECULAR FORMULA: C19H24O3
MOLECULAR WEIGHT: 300.39206
SMILES: CC(=O)O[C@H]1[C@]2([C@@H]3CCC1(C3(C)C)C)C(O2)C4=CC=CC=C4
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Product OPENEYE NAME: (2R,3R,4R)-3-benzyl-1,7,7-trimethyl-norbornane-2,3-diol
CAS Name: (1R,2R,3R)-4,7,7-trimethyl-2-(phenylmethyl)bicyclo[2.2.1]heptane-2,3-diol
IUPAC NAME: (1R,2R,3R)-2-benzyl-4,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
SYSTEMATIC NAME: (1R,2R,3R)-4,7,7-trimethyl-2-(phenylmethyl)bicyclo[2.2.1]heptane-2,3-diol
MOLECULAR FORMULA: C17H24O2
MOLECULAR WEIGHT: 260.37126
SMILES: CC1([C@H]2CCC1([C@H]([C@]2(CC3=CC=CC=C3)O)O)C)C
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Product OPENEYE NAME: [(1R,2E)-2-benzylidenecyclopentyl] acetate
CAS Name: acetic acid [(1R,2E)-2-(phenylmethylene)cyclopentyl] ester
IUPAC NAME: [(1R,2E)-2-benzylidenecyclopentyl] acetate
SYSTEMATIC NAME: [(1R,2E)-2-(phenylmethylidene)cyclopentyl] ethanoate
MOLECULAR FORMULA: C14H16O2
MOLECULAR WEIGHT: 216.27564
SMILES: CC(=O)O[C@@H]\1CCC/C1=C\C2=CC=CC=C2
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Product OPENEYE NAME: [(3S,7R)-1-phenyl-2-oxaspiro[2.4]heptan-7-yl] acetate
CAS Name: acetic acid [(3S,7R)-1-phenyl-2-oxaspiro[2.4]heptan-7-yl] ester
IUPAC NAME: [(3S,7R)-1-phenyl-2-oxaspiro[2.4]heptan-7-yl] acetate
SYSTEMATIC NAME: [(3S,7R)-1-phenyl-2-oxaspiro[2.4]heptan-7-yl] ethanoate
MOLECULAR FORMULA: C14H16O3
MOLECULAR WEIGHT: 232.27504
SMILES: CC(=O)O[C@@H]1CCC[C@@]12C(O2)C3=CC=CC=C3
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Product OPENEYE NAME: (1S,2R)-1-benzylcyclopentane-1,2-diol
CAS Name: (1S,2R)-1-(phenylmethyl)cyclopentane-1,2-diol
IUPAC NAME: (1S,2R)-1-benzylcyclopentane-1,2-diol
SYSTEMATIC NAME: (1S,2R)-1-(phenylmethyl)cyclopentane-1,2-diol
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: C1C[C@H]([C@](C1)(CC2=CC=CC=C2)O)O
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Product OPENEYE NAME: (1R,2R)-1-benzylcyclopentane-1,2-diol
CAS Name: (1R,2R)-1-(phenylmethyl)cyclopentane-1,2-diol
IUPAC NAME: (1R,2R)-1-benzylcyclopentane-1,2-diol
SYSTEMATIC NAME: (1R,2R)-1-(phenylmethyl)cyclopentane-1,2-diol
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: C1C[C@H]([C@@](C1)(CC2=CC=CC=C2)O)O
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Product OPENEYE NAME: [(2S)-3-methyl-5-oxo-tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate
CAS Name: 4-methylbenzenesulfonic acid [(2S)-3-methyl-5-oxo-2-oxolanyl]methyl ester
IUPAC NAME: [(2S)-3-methyl-5-oxooxolan-2-yl]methyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: [(2S)-3-methyl-5-oxidanylidene-oxolan-2-yl]methyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C13H16O5S
MOLECULAR WEIGHT: 284.32814
SMILES: CC1CC(=O)O[C@@H]1COS(=O)(=O)C2=CC=C(C=C2)C
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Product OPENEYE NAME: (2S,3aR,6R,6aR)-2-ethoxy-6-ethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CAS Name: (2S,3aR,6R,6aR)-2-ethoxy-6-ethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
IUPAC NAME: (2S,3aR,6R,6aR)-2-ethoxy-6-ethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SYSTEMATIC NAME: (2S,3aR,6R,6aR)-2-ethoxy-6-ethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
MOLECULAR FORMULA: C9H14O5
MOLECULAR WEIGHT: 202.20446
SMILES: CC[C@@H]1[C@@H]2[C@H](C(=O)O1)O[C@H](O2)OCC
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Product OPENEYE NAME: (2S,3aR,6R,6aR)-2-ethoxy-6-pentyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CAS Name: (2S,3aR,6R,6aR)-2-ethoxy-6-pentyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
IUPAC NAME: (2S,3aR,6R,6aR)-2-ethoxy-6-pentyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SYSTEMATIC NAME: (2S,3aR,6R,6aR)-2-ethoxy-6-pentyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
MOLECULAR FORMULA: C12H20O5
MOLECULAR WEIGHT: 244.2842
SMILES: CCCCC[C@@H]1[C@@H]2[C@H](C(=O)O1)O[C@H](O2)OCC
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Product OPENEYE NAME: (3aR,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CAS Name: (3aR,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
IUPAC NAME: (3aR,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SYSTEMATIC NAME: (3aR,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
MOLECULAR FORMULA: C9H14O4
MOLECULAR WEIGHT: 186.20506
SMILES: CC[C@@H]1[C@@H]2[C@H](C(=O)O1)OC(O2)(C)C
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Product OPENEYE NAME: [(2R,3R,4R)-4-acetoxy-5-oxo-2-(trityloxymethyl)tetrahydrofuran-3-yl] acetate
CAS Name: acetic acid [(2R,3R,4R)-4-acetyloxy-5-oxo-2-[(triphenylmethyl)oxymethyl]-3-oxolanyl] ester
IUPAC NAME: [(2R,3R,4R)-4-acetyloxy-5-oxo-2-(trityloxymethyl)oxolan-3-yl] acetate
SYSTEMATIC NAME: [(2R,3R,4R)-4-acetyloxy-5-oxidanylidene-2-[(triphenylmethyl)oxymethyl]oxolan-3-yl] ethanoate
MOLECULAR FORMULA: C28H26O7
MOLECULAR WEIGHT: 474.50184
SMILES: CC(=O)O[C@@H]1[C@H](OC(=O)[C@@H]1OC(=O)C)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: [(2R,3S)-5-oxo-2-(p-tolylsulfonyloxymethyl)tetrahydrofuran-3-yl] acetate
CAS Name: acetic acid [(2R,3S)-2-[(4-methylphenyl)sulfonyloxymethyl]-5-oxo-3-oxolanyl] ester
IUPAC NAME: [(2R,3S)-2-[(4-methylphenyl)sulfonyloxymethyl]-5-oxooxolan-3-yl] acetate
SYSTEMATIC NAME: [(2R,3S)-2-[(4-methylphenyl)sulfonyloxymethyl]-5-oxidanylidene-oxolan-3-yl] ethanoate
MOLECULAR FORMULA: C14H16O7S
MOLECULAR WEIGHT: 328.33764
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H](CC(=O)O2)OC(=O)C
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Product OPENEYE NAME: (4S,5R)-5-ethyl-4-hydroxy-tetrahydrofuran-2-one
CAS Name: (4S,5R)-5-ethyl-4-hydroxy-2-oxolanone
IUPAC NAME: (4S,5R)-5-ethyl-4-hydroxyoxolan-2-one
SYSTEMATIC NAME: (4S,5R)-5-ethyl-4-oxidanyl-oxolan-2-one
MOLECULAR FORMULA: C6H10O3
MOLECULAR WEIGHT: 130.1418
SMILES: CC[C@@H]1[C@H](CC(=O)O1)O
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Product OPENEYE NAME: N-(3-chloropropyl)-N-methyl-7H-purin-6-amine
CAS Name: N-(3-chloropropyl)-N-methyl-7H-purin-6-amine
IUPAC NAME: N-(3-chloropropyl)-N-methyl-7H-purin-6-amine
SYSTEMATIC NAME: N-(3-chloranylpropyl)-N-methyl-7H-purin-6-amine
MOLECULAR FORMULA: C9H12ClN5
MOLECULAR WEIGHT: 225.67808
SMILES: CN(CCCCl)C1=NC=NC2=C1NC=N2
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CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C10H13N5
MOLECULAR WEIGHT: 203.24372
SMILES: CN1CCCCN2C=NC3=C2C1=NC=N3
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Product OPENEYE NAME: 2-[2-[2-[2-[2-[2-[2-(2-tetrahydropyran-2-yloxyethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]tetrahydropyran
CAS Name: 2-[2-[2-[2-[2-[2-[2-[2-(2-oxanyloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]oxane
IUPAC NAME: 2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]oxane
SYSTEMATIC NAME: 2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]oxane
MOLECULAR FORMULA: C28H46O10
MOLECULAR WEIGHT: 542.65884
SMILES: C1CCOC(C1)OCCOCCOCCOC2=CC=CC=C2OCCOCCOCCOC3CCCCO3
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Product OPENEYE NAME: 11H-naphtho[2,3-b]benzothiophen-6-one
CAS Name: 11H-naphtho[2,3-b][1]benzothiol-6-one
IUPAC NAME: 11H-naphtho[2,3-b][1]benzothiol-6-one
SYSTEMATIC NAME: 11H-naphtho[2,3-b][1]benzothiol-6-one
MOLECULAR FORMULA: C16H10OS
MOLECULAR WEIGHT: 250.315
SMILES: C1C2=CC=CC=C2C(=O)C3=C1C4=CC=CC=C4S3
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Product OPENEYE NAME: 6H-naphtho[3,2-b]benzothiophen-11-one
CAS Name: 6H-naphtho[3,2-b][1]benzothiol-11-one
IUPAC NAME: 6H-naphtho[3,2-b][1]benzothiol-11-one
SYSTEMATIC NAME: 6H-naphtho[3,2-b][1]benzothiol-11-one
MOLECULAR FORMULA: C16H10OS
MOLECULAR WEIGHT: 250.315
SMILES: C1C2=CC=CC=C2C(=O)C3=C1SC4=CC=CC=C43
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Product OPENEYE NAME: (5Z)-5-(hydroxymethylene)-1-phenyl-6,7-dihydroindazol-4-one
CAS Name: (5Z)-5-(hydroxymethylidene)-1-phenyl-6,7-dihydroindazol-4-one
IUPAC NAME: (5Z)-5-(hydroxymethylidene)-1-phenyl-6,7-dihydroindazol-4-one
SYSTEMATIC NAME: (5Z)-5-(oxidanylmethylidene)-1-phenyl-6,7-dihydroindazol-4-one
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: C\1CC2=C(C=NN2C3=CC=CC=C3)C(=O)/C1=C\O
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Product OPENEYE NAME: (5Z)-1-methyl-5-[(N-methylanilino)methylene]-6,7-dihydroindazol-4-one
CAS Name: (5Z)-1-methyl-5-[(N-methylanilino)methylidene]-6,7-dihydroindazol-4-one
IUPAC NAME: (5Z)-1-methyl-5-[(N-methylanilino)methylidene]-6,7-dihydroindazol-4-one
SYSTEMATIC NAME: (5Z)-1-methyl-5-[[methyl(phenyl)amino]methylidene]-6,7-dihydroindazol-4-one
MOLECULAR FORMULA: C16H17N3O
MOLECULAR WEIGHT: 267.32568
SMILES: CN1C2=C(C=N1)C(=O)/C(=C\N(C)C3=CC=CC=C3)/CC2
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Product OPENEYE NAME: (5Z)-5-(dimethylaminomethylene)-1-phenyl-6,7-dihydroindazol-4-one
CAS Name: (5Z)-5-(dimethylaminomethylidene)-1-phenyl-6,7-dihydroindazol-4-one
IUPAC NAME: (5Z)-5-(dimethylaminomethylidene)-1-phenyl-6,7-dihydroindazol-4-one
SYSTEMATIC NAME: (5Z)-5-(dimethylaminomethylidene)-1-phenyl-6,7-dihydroindazol-4-one
MOLECULAR FORMULA: C16H17N3O
MOLECULAR WEIGHT: 267.32568
SMILES: CN(C)/C=C\1/CCC2=C(C1=O)C=NN2C3=CC=CC=C3
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