[(4E,6E)-2,10-dimethyl-10-[(2R,4R)-4-methyl-5-oxidanylidene-oxolan-2-yl]-9-oxidanyl-8-(phenylsulfonyl)undeca-4,6-dien-3-yl] benzoate

Systemtic Name: [(4E,6E)-2,10-dimethyl-10-[(2R,4R)-4-methyl-5-oxidanylidene-oxolan-2-yl]-9-oxidanyl-8-(phenylsulfonyl)undeca-4,6-dien-3-yl] benzoate Openeye Name: [(2E,4E)-6-(benzenesulfonyl)-7-hydroxy-1-isopropyl-8-methyl-8-[(2R,4R)-4-methyl-5-oxo-tetrahydrofuran-2-yl]nona-2,4-dienyl] benzoate CAS Name: benzoic acid [(4E,6E)-8-(benzenesulfonyl)-9-hydroxy-2,10-dimethyl-10-[(2R,4R)-4-methyl-5-oxo-2-oxolanyl]undeca-4,6-dien-3-yl] ester IUPAC Name: [(4E,6E)-8-(benzenesulfonyl)-9-hydroxy-2,10-dimethyl-10-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]undeca-4,6-dien-3-yl] benzoate Traditional Name: benzoic acid [(2E,4E)-6-besyl-7-hydroxy-1-isopropyl-8-[(2R,4R)-5-keto-4-methyl-tetrahydrofuran-2-yl]-8-methyl-nona-2,4-dienyl] ester Formula: C31H38O7S MolecularWeight: 554.69422

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(OC1=O)C(C)(C)C(C(C=CC=CC(C(C)C)OC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

C[C@@H]1C[C@@H](OC1=O)C(C)(C)C(C(/C=C/C=C/C(C(C)C)OC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C31H38O7S/c1-21(2)25(37-30(34)23-14-8-6-9-15-23)18-12-13-19-26(39(35,36)24-16-10-7-11-17-24)28(32)31(4,5)27-20-22(3)29(33)38-27/h6-19,21-22,25-28,32H,20H2,1-5H3/b18-12+,19-13+/t22-,25?,26?,27-,28?/m1/s1