methyl (3Z,5E)-6-acetyloxy-15-oxidanyl-2-(phenylsulfonyl)pentadeca-3,5-dienoate

Systemtic Name: methyl (3Z,5E)-6-acetyloxy-15-oxidanyl-2-(phenylsulfonyl)pentadeca-3,5-dienoate Openeye Name: methyl (3Z,5E)-6-acetoxy-2-(benzenesulfonyl)-15-hydroxy-pentadeca-3,5-dienoate CAS Name: (3Z,5E)-6-acetyloxy-2-(benzenesulfonyl)-15-hydroxypentadeca-3,5-dienoic acid methyl ester IUPAC Name: methyl (3Z,5E)-6-acetyloxy-2-(benzenesulfonyl)-15-hydroxypentadeca-3,5-dienoate Traditional Name: (3Z,5E)-6-acetoxy-2-besyl-15-hydroxy-pentadeca-3,5-dienoic acid methyl ester Formula: C24H34O7S MolecularWeight: 466.58756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(=CC=CC(C(=O)OC)S(=O)(=O)C1=CC=CC=C1)CCCCCCCCCO

Isomeric SMILES

CC(=O)O/C(=C/C=C\C(C(=O)OC)S(=O)(=O)C1=CC=CC=C1)/CCCCCCCCCO

InChI

InChI=1S/C24H34O7S/c1-20(26)31-21(14-9-6-4-3-5-7-12-19-25)15-13-18-23(24(27)30-2)32(28,29)22-16-10-8-11-17-22/h8,10-11,13,15-18,23,25H,3-7,9,12,14,19H2,1-2H3/b18-13-,21-15+