(E)-6-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanyl-5-oxidanyl-9-phenyl-non-7-enoic acid

Systemtic Name: (E)-6-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanyl-5-oxidanyl-9-phenyl-non-7-enoic acid Openeye Name: (E)-6-(4-acetyl-3-hydroxy-2-propyl-phenyl)sulfanyl-5-hydroxy-9-phenyl-non-7-enoic acid CAS Name: (E)-6-[(4-acetyl-3-hydroxy-2-propylphenyl)thio]-5-hydroxy-9-phenyl-7-nonenoic acid IUPAC Name: (E)-6-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanyl-5-hydroxy-9-phenylnon-7-enoic acid Traditional Name: (E)-6-[(4-acetyl-3-hydroxy-2-propyl-phenyl)thio]-5-hydroxy-9-phenyl-non-7-enoic acid Formula: C26H32O5S MolecularWeight: 456.59428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)SC(C=CCC2=CC=CC=C2)C(CCCC(=O)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)SC(/C=C/CC2=CC=CC=C2)C(CCCC(=O)O)O

InChI

InChI=1S/C26H32O5S/c1-3-9-21-23(17-16-20(18(2)27)26(21)31)32-24(22(28)13-8-15-25(29)30)14-7-12-19-10-5-4-6-11-19/h4-7,10-11,14,16-17,22,24,28,31H,3,8-9,12-13,15H2,1-2H3,(H,29,30)/b14-7+