CAS RN: 28387-44-2
CAS Name: (1Z,5Z,8S)-1,5-dimethyl-8-(1-methylethenyl)cyclodeca-1,5-diene
OPENEYE Name: (1Z,5Z,8S)-8-isopropenyl-1,5-dimethyl-cyclodeca-1,5-diene
IUPAC Name: (1Z,5Z,8S)-1,5-dimethyl-8-prop-1-en-2-ylcyclodeca-1,5-diene
SYSTEMATIC NAME: (1Z,5Z,8S)-1,5-dimethyl-8-prop-1-en-2-yl-cyclodeca-1,5-diene
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: C/C/1=C/CC/C(=C\C[C@H](CC1)C(=C)C)/C
Structure:
CAS RN: 75023-40-4
CAS Name: (1Z,5Z,8S)-1,5-dimethyl-8-(1-methylethenyl)cyclodeca-1,5-diene
OPENEYE Name: (1Z,5Z,8S)-8-isopropenyl-1,5-dimethyl-cyclodeca-1,5-diene
IUPAC Name: (1Z,5Z,8S)-1,5-dimethyl-8-prop-1-en-2-ylcyclodeca-1,5-diene
SYSTEMATIC NAME: (1Z,5Z,8S)-1,5-dimethyl-8-prop-1-en-2-yl-cyclodeca-1,5-diene
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: C/C/1=C/CC/C(=C\C[C@H](CC1)C(=C)C)/C
Structure:
CAS RN: 75013-63-7
CAS Name: 1-[(3Z)-3-(2-chloro-9-thioxanthenylidene)propyl]piperazine
OPENEYE Name: 1-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazine
IUPAC Name: 1-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazine
SYSTEMATIC NAME: 1-[(3Z)-3-(2-chloranylthioxanthen-9-ylidene)propyl]piperazine
MOLECULAR FORMULA: C20H21ClN2S
MOLECULAR WEIGHT: 356.91214
SMILES: C1CN(CCN1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
Structure:
CAS RN: 75013-62-6
CAS Name: 1-[(3E)-3-(2-chloro-9-thioxanthenylidene)propyl]piperazine
OPENEYE Name: 1-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazine
IUPAC Name: 1-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazine
SYSTEMATIC NAME: 1-[(3E)-3-(2-chloranylthioxanthen-9-ylidene)propyl]piperazine
MOLECULAR FORMULA: C20H21ClN2S
MOLECULAR WEIGHT: 356.91214
SMILES: C1CN(CCN1)CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
Structure:
CAS RN: 74868-37-4
CAS Name: (5Z,8Z,11Z)-13-[(2S,3R)-3-pentyl-2-oxiranyl]trideca-5,8,11-trienoic acid
OPENEYE Name: (5Z,8Z,11Z)-13-[(2S,3R)-3-pentyloxiran-2-yl]trideca-5,8,11-trienoic acid
IUPAC Name: (5Z,8Z,11Z)-13-[(2S,3R)-3-pentyloxiran-2-yl]trideca-5,8,11-trienoic acid
SYSTEMATIC NAME: (5Z,8Z,11Z)-13-[(2S,3R)-3-pentyloxiran-2-yl]trideca-5,8,11-trienoic acid
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CCCCC[C@@H]1[C@@H](O1)C/C=C\C/C=C\C/C=C\CCCC(=O)O
Structure:
CAS RN: 74765-89-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24N2O3
MOLECULAR WEIGHT: 340.41616
SMILES: C/C=C(\C=O)/[C@@H]1C[C@H]2C3=C(CCN2C)C4=C(N3[C@H](C1)O)C=CC(=C4)O
Structure:
CAS RN: 74609-46-4
CAS Name: 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid
OPENEYE Name: 3-[(Z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid
IUPAC Name: 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SYSTEMATIC NAME: 3-[(Z)-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C9H10ClF3O2
MOLECULAR WEIGHT: 242.62271
SMILES: CC1(C(C1C(=O)O)/C=C(/C(F)(F)F)\Cl)C
Structure:
CAS RN: 74474-76-3
CAS Name: 8-[(E)-3,4-dihydroxy-3-methylbut-1-enyl]-7-methoxy-1-benzopyran-2-one
OPENEYE Name: 8-[(E)-3,4-dihydroxy-3-methyl-but-1-enyl]-7-methoxy-chromen-2-one
IUPAC Name: 8-[(E)-3,4-dihydroxy-3-methylbut-1-enyl]-7-methoxychromen-2-one
SYSTEMATIC NAME: 7-methoxy-8-[(E)-3-methyl-3,4-bis(oxidanyl)but-1-enyl]chromen-2-one
MOLECULAR FORMULA: C15H16O5
MOLECULAR WEIGHT: 276.28454
SMILES: CC(CO)(/C=C/C1=C(C=CC2=C1OC(=O)C=C2)OC)O
Structure:
CAS RN: 74363-29-4
CAS Name: (2E)-2-(6-cyclohexyl-1,1-dimethyl-3,4-dihydronaphthalen-2-ylidene)acetic acid
OPENEYE Name: (2E)-2-(6-cyclohexyl-1,1-dimethyl-tetralin-2-ylidene)acetic acid
IUPAC Name: (2E)-2-(6-cyclohexyl-1,1-dimethyl-3,4-dihydronaphthalen-2-ylidene)acetic acid
SYSTEMATIC NAME: (2E)-2-(6-cyclohexyl-1,1-dimethyl-3,4-dihydronaphthalen-2-ylidene)ethanoic acid
MOLECULAR FORMULA: C20H26O2
MOLECULAR WEIGHT: 298.41924
SMILES: CC1(/C(=C/C(=O)O)/CCC2=C1C=CC(=C2)C3CCCCC3)C
Structure:
CAS RN: 74363-26-1
CAS Name: (2E)-2-(6-cyclohexyl-1-methyl-3,4-dihydro-1H-naphthalen-2-ylidene)acetic acid
OPENEYE Name: (2E)-2-(6-cyclohexyl-1-methyl-tetralin-2-ylidene)acetic acid
IUPAC Name: (2E)-2-(6-cyclohexyl-1-methyl-3,4-dihydro-1H-naphthalen-2-ylidene)acetic acid
SYSTEMATIC NAME: (2E)-2-(6-cyclohexyl-1-methyl-3,4-dihydro-1H-naphthalen-2-ylidene)ethanoic acid
MOLECULAR FORMULA: C19H24O2
MOLECULAR WEIGHT: 284.39266
SMILES: CC1/C(=C/C(=O)O)/CCC2=C1C=CC(=C2)C3CCCCC3
Structure:
CAS RN: 74111-97-0
CAS Name: (1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester
OPENEYE Name: (3-phenoxyphenyl)methyl (1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: (3-phenoxyphenyl)methyl (1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: (3-phenoxyphenyl)methyl (1S,3S)-3-[(E)-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C22H20ClF3O3
MOLECULAR WEIGHT: 424.84061
SMILES: CC1([C@@H]([C@@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(\C(F)(F)F)/Cl)C
Structure:
CAS RN: 74111-96-9
CAS Name: (1S,3R)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester
OPENEYE Name: (3-phenoxyphenyl)methyl (1S,3R)-3-[(E)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: (3-phenoxyphenyl)methyl (1S,3R)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: (3-phenoxyphenyl)methyl (1S,3R)-3-[(E)-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C22H20ClF3O3
MOLECULAR WEIGHT: 424.84061
SMILES: CC1([C@H]([C@@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(\C(F)(F)F)/Cl)C
Structure:
CAS RN: 73772-93-7
CAS Name: 4-hydroxy-2-methylenebutanoic acid [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-1-oxo-3-phenylprop-2-enoxy]-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxy-tetrahydropyran-2-yl]methyl 4-hydroxy-2-methylene-butanoate
IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-[(E)-3-phenylprop-2-enoyl]oxy-oxan-2-yl]methyl 2-methylidene-4-oxidanyl-butanoate
MOLECULAR FORMULA: C20H24O9
MOLECULAR WEIGHT: 408.39916
SMILES: C=C(CCO)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)/C=C/C2=CC=CC=C2)O)O)O
Structure:
CAS RN: 76608-49-6
CAS Name: (Z)-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol
OPENEYE Name: (Z)-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
IUPAC Name: (Z)-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
SYSTEMATIC NAME: (Z)-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
MOLECULAR FORMULA: C15H25N3O
MOLECULAR WEIGHT: 263.3785
SMILES: CC(C)(C)C(/C(=C/C1CCCCC1)/N2C=NC=N2)O
Structure:
CAS RN: 75736-73-1
CAS Name: (Z)-7-[(1R,2R,3R)-2-[(E,3S)-3-hydroxy-4,4-dimethylnon-1-enyl]-3-methyl-5-oxocyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R)-2-[(E,3S)-3-hydroxy-4,4-dimethyl-non-1-enyl]-3-methyl-5-oxo-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R)-2-[(E,3S)-3-hydroxy-4,4-dimethylnon-1-enyl]-3-methyl-5-oxocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R)-2-[(E,3S)-4,4-dimethyl-3-oxidanyl-non-1-enyl]-3-methyl-5-oxidanylidene-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C24H40O4
MOLECULAR WEIGHT: 392.572
SMILES: CCCCCC(C)(C)[C@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)C)O
Structure:
CAS RN: 85650-56-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H20ClNO5
MOLECULAR WEIGHT: 401.8402
SMILES: CN1C[C@@H]2[C@@H](C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 74518-94-8
CAS Name: 4-[(E)-2-(4-nitrophenyl)ethenyl]benzonitrile
OPENEYE Name: 4-[(E)-2-(4-nitrophenyl)vinyl]benzonitrile
IUPAC Name: 4-[(E)-2-(4-nitrophenyl)ethenyl]benzonitrile
SYSTEMATIC NAME: 4-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarbonitrile
MOLECULAR FORMULA: C15H10N2O2
MOLECULAR WEIGHT: 250.2521
SMILES: C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C#N
Structure:
CAS RN: 71902-49-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H44O10
MOLECULAR WEIGHT: 624.71786
SMILES: C/C=C(\C)/C(=O)O[C@@H]1[C@H]2[C@H]3[C@](CO2)([C@@H](C[C@@H]([C@@]3([C@@H]4[C@@]1(C5=C(C(C[C@@H]5OC(=O)C4)C6=COC=C6)C)C)C)OC(=O)C)OC(=O)C)C
Structure:
CAS RN: 71968-02-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H35NO4
MOLECULAR WEIGHT: 401.539
SMILES: C[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C(\CC[C@H]([C@H](/C=C\C3=O)O)O)/C)C=C1C)CC(C)C
Structure:
CAS RN: 71947-64-3
CAS Name: (2R)-2-[(2E,6S,7E,9E)-13-(3-furanyl)-2,6,10-trimethyltrideca-2,7,9-trienyl]-5-hydroxy-4-methyl-3-furanone
OPENEYE Name: (2R)-2-[(2E,6S,7E,9E)-13-(3-furyl)-2,6,10-trimethyl-trideca-2,7,9-trienyl]-5-hydroxy-4-methyl-furan-3-one
IUPAC Name: (2R)-2-[(2E,6S,7E,9E)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trienyl]-5-hydroxy-4-methylfuran-3-one
SYSTEMATIC NAME: (2R)-2-[(2E,6S,7E,9E)-13-(furan-3-yl)-2,6,10-trimethyl-trideca-2,7,9-trienyl]-4-methyl-5-oxidanyl-furan-3-one
MOLECULAR FORMULA: C25H34O4
MOLECULAR WEIGHT: 398.53506
SMILES: CC1=C(O[C@@H](C1=O)C/C(=C/CC[C@H](C)/C=C/C=C(\C)/CCCC2=COC=C2)/C)O
Structure:
CAS RN: 71845-64-2
CAS Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptenoic acid (phenylmethyl) ester
OPENEYE Name: benzyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate
IUPAC Name: benzyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate
SYSTEMATIC NAME: (phenylmethyl) (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoate
MOLECULAR FORMULA: C27H40O5
MOLECULAR WEIGHT: 444.6035
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCC2=CC=CC=C2)O)O)O
Structure:
CAS RN: 71761-06-3
CAS Name: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
OPENEYE Name: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
IUPAC Name: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
SYSTEMATIC NAME: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
MOLECULAR FORMULA: C29H48O
MOLECULAR WEIGHT: 412.69082
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C)C(C)C
Structure:
CAS RN: 71679-39-5
CAS Name: (E)-2-methylsulfinyl-1,3-diphenyl-2-propen-1-one
OPENEYE Name: (E)-2-methylsulfinyl-1,3-diphenyl-prop-2-en-1-one
IUPAC Name: (E)-2-methylsulfinyl-1,3-diphenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-2-methylsulfinyl-1,3-diphenyl-prop-2-en-1-one
MOLECULAR FORMULA: C16H14O2S
MOLECULAR WEIGHT: 270.34616
SMILES: CS(=O)/C(=C/C1=CC=CC=C1)/C(=O)C2=CC=CC=C2
Structure:
CAS RN: 71524-13-5
CAS Name: 5-[(E)-5-(3-butyl-3-methyl-2-oxiranyl)-3-methylpent-2-enoxy]-2-ethylpyridine
OPENEYE Name: 5-[(E)-5-(3-butyl-3-methyl-oxiran-2-yl)-3-methyl-pent-2-enoxy]-2-ethyl-pyridine
IUPAC Name: 5-[(E)-5-(3-butyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-2-ethylpyridine
SYSTEMATIC NAME: 5-[(E)-5-(3-butyl-3-methyl-oxiran-2-yl)-3-methyl-pent-2-enoxy]-2-ethyl-pyridine
MOLECULAR FORMULA: C20H31NO2
MOLECULAR WEIGHT: 317.46564
SMILES: CCCCC1(C(O1)CC/C(=C/COC2=CN=C(C=C2)CC)/C)C
Structure:
CAS RN: 71252-72-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H44O10
MOLECULAR WEIGHT: 648.73926
SMILES: CCC/C=C/C=C/C=C/C(=O)OC1C(C23C4CC(C(=O)C4(C(C5(C(C2C6C1(OC(O6)(O3)C7=CC=CC=C7)C(=C)C)O5)CO)O)O)C)C
Structure:
CAS RN: 71013-81-5
CAS Name: 1-(2,6-dimethylphenyl)-N-phenylmethanimine oxide
OPENEYE Name: 1-(2,6-dimethylphenyl)-N-phenyl-methanimine oxide
IUPAC Name: 1-(2,6-dimethylphenyl)-N-phenylmethanimine oxide
SYSTEMATIC NAME: 1-(2,6-dimethylphenyl)-N-phenyl-methanimine oxide
MOLECULAR FORMULA: C15H15NO
MOLECULAR WEIGHT: 225.2857
SMILES: CC1=C(C(=CC=C1)C)/C=[N+](/C2=CC=CC=C2)\[O-]
Structure:
CAS RN: 71339-34-9
CAS Name: 4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-7-furo[3,2-g][1]benzopyranone
OPENEYE Name: 4-[(E)-6,7-dihydroxy-3,7-dimethyl-oct-2-enoxy]furo[3,2-g]chromen-7-one
IUPAC Name: 4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]furo[3,2-g]chromen-7-one
SYSTEMATIC NAME: 4-[(E)-3,7-dimethyl-6,7-bis(oxidanyl)oct-2-enoxy]furo[3,2-g]chromen-7-one
MOLECULAR FORMULA: C21H24O6
MOLECULAR WEIGHT: 372.41166
SMILES: C/C(=C\COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/CCC(C(C)(C)O)O
Structure:
CAS RN: 70852-29-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H34N2O4
MOLECULAR WEIGHT: 474.59126
SMILES: C[C@H]1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)CCC(=O)C1)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C
Structure:
CAS RN: 73360-05-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26N2O3
MOLECULAR WEIGHT: 354.44274
SMILES: C/C=C(\C=O)/[C@@H]1C[C@H]2C3=C(CCN2C)C4=C(N3[C@H](C1)OC)C=CC(=C4)O
Structure:
CAS RN: 72698-57-8
CAS Name: 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid [7-[(E)-2-methyl-1-oxobut-2-enoxy]-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl ester
OPENEYE Name: [7-[(E)-2-methylbut-2-enoyl]oxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate
IUPAC Name: [7-[(E)-2-methylbut-2-enoyl]oxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
SYSTEMATIC NAME: [7-[(E)-2-methylbut-2-enoyl]oxy-4-oxidanidyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-(1-hydroxyethyl)-3-methyl-2-oxidanyl-butanoate
MOLECULAR FORMULA: C20H31NO7
MOLECULAR WEIGHT: 397.46264
SMILES: C/C=C(\C)/C(=O)OC1CC[N+]2(C1C(=CC2)COC(=O)C(C(C)C)(C(C)O)O)[O-]
Structure:
CAS RN: 72509-61-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H40N2O5
MOLECULAR WEIGHT: 556.6918
SMILES: CC[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C/C[C@@H](/C=C(\[C@H](C(=O)/C=C/C3=O)O)/C)C)[C@H]4[C@@]1(O4)C)[C@@H](C)C5=CNC6=CC=CC=C65
Structure:
CAS RN: 72283-61-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H29N5O10
MOLECULAR WEIGHT: 535.50386
SMILES: C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@H](O[C@H]2[C@]1(O[C@H]3[C@@H](C2)O[C@H]([C@@H]3OC)N4C=NC5=C4N=CN=C5N)O)C(=O)OC)O
Structure:
CAS RN: 70161-11-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H74O14
MOLECULAR WEIGHT: 875.09276
SMILES: CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H](C([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C
Structure:
CAS RN: 71827-03-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H74O14
MOLECULAR WEIGHT: 875.09276
SMILES: CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H](C([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C
Structure:
CAS RN: 116522-39-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H74O14
MOLECULAR WEIGHT: 875.09276
SMILES: CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H](C([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C
Structure:
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