sodium (5E,7E,10E)-10-[[(1S,3aR,4S,5S,7aS)-1-methyl-4-(1H-pyrrol-2-ylcarbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methylidene]-8-methyl-3,9-bis(oxidanyl)dodeca-5,7-dienoate

Systemtic Name: sodium (5E,7E,10E)-10-[[(1S,3aR,4S,5S,7aS)-1-methyl-4-(1H-pyrrol-2-ylcarbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methylidene]-8-methyl-3,9-bis(oxidanyl)dodeca-5,7-dienoate Openeye Name: sodium (5E,7E,10E)-10-[[(1S,3aR,4S,5S,7aS)-1-methyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methylene]-3,9-dihydroxy-8-methyl-dodeca-5,7-dienoate CAS Name: sodium (5E,7E,10E)-10-[[(1S,3aR,4S,5S,7aS)-1-methyl-4-[oxo(1H-pyrrol-2-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methylidene]-3,9-dihydroxy-8-methyldodeca-5,7-dienoate IUPAC Name: sodium (5E,7E,10E)-10-[[(1S,3aR,4S,5S,7aS)-1-methyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]methylidene]-3,9-dihydroxy-8-methyldodeca-5,7-dienoate Traditional Name: sodium (5E,7E,10E)-11-[(1S,3aR,4S,5S,7aS)-1-methyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]-10-ethyl-3,9-dihydroxy-8-methyl-undeca-5,7,10-trienoate Formula: C29H38NNaO5 MolecularWeight: 503.60549

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1C=CC2C(CCC2C1C(=O)C3=CC=CN3)C)C(C(=CC=CCC(CC(=O)[O-])O)C)O.[Na+]

Isomeric SMILES

CC/C(=C\[C@@H]1C=C[C@@H]2[C@H](CC[C@H]2[C@@H]1C(=O)C3=CC=CN3)C)/C(/C(=C/C=C/CC(CC(=O)[O-])O)/C)O.[Na+]

InChI

InChI=1S/C29H39NO5.Na/c1-4-20(28(34)19(3)8-5-6-9-22(31)17-26(32)33)16-21-12-14-23-18(2)11-13-24(23)27(21)29(35)25-10-7-15-30-25;/h5-8,10,12,14-16,18,21-24,27-28,30-31,34H,4,9,11,13,17H2,1-3H3,(H,32,33);/q;+1/p-1/b6-5+,19-8+,20-16+;/t18-,21-,22?,23+,24+,27+,28?;/m0./s1