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

Systemtic Name: (E)-6-(4-ethanoyl-3-oxidanyl-phenyl)sulfanyl-5-oxidanyl-9-phenyl-non-7-enoic acid Openeye Name: (E)-6-(4-acetyl-3-hydroxy-phenyl)sulfanyl-5-hydroxy-9-phenyl-non-7-enoic acid CAS Name: (E)-6-[(4-acetyl-3-hydroxyphenyl)thio]-5-hydroxy-9-phenyl-7-nonenoic acid IUPAC Name: (E)-6-(4-acetyl-3-hydroxyphenyl)sulfanyl-5-hydroxy-9-phenylnon-7-enoic acid Traditional Name: (E)-6-[(4-acetyl-3-hydroxy-phenyl)thio]-5-hydroxy-9-phenyl-non-7-enoic acid Formula: C23H26O5S MolecularWeight: 414.51454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)SC(C=CCC2=CC=CC=C2)C(CCCC(=O)O)O)O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)SC(/C=C/CC2=CC=CC=C2)C(CCCC(=O)O)O)O

InChI

InChI=1S/C23H26O5S/c1-16(24)19-14-13-18(15-21(19)26)29-22(20(25)10-6-12-23(27)28)11-5-9-17-7-3-2-4-8-17/h2-5,7-8,11,13-15,20,22,25-26H,6,9-10,12H2,1H3,(H,27,28)/b11-5+