(E)-6-(4-ethanoyl-3-oxidanyl-phenyl)sulfanyl-5-oxidanyl-13-phenyl-tridec-7-enoic acid

Systemtic Name: (E)-6-(4-ethanoyl-3-oxidanyl-phenyl)sulfanyl-5-oxidanyl-13-phenyl-tridec-7-enoic acid Openeye Name: (E)-6-(4-acetyl-3-hydroxy-phenyl)sulfanyl-5-hydroxy-13-phenyl-tridec-7-enoic acid CAS Name: (E)-6-[(4-acetyl-3-hydroxyphenyl)thio]-5-hydroxy-13-phenyl-7-tridecenoic acid IUPAC Name: (E)-6-(4-acetyl-3-hydroxyphenyl)sulfanyl-5-hydroxy-13-phenyltridec-7-enoic acid Traditional Name: (E)-6-[(4-acetyl-3-hydroxy-phenyl)thio]-5-hydroxy-13-phenyl-tridec-7-enoic acid Formula: C27H34O5S MolecularWeight: 470.62086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)SC(C=CCCCCCC2=CC=CC=C2)C(CCCC(=O)O)O)O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)SC(/C=C/CCCCCC2=CC=CC=C2)C(CCCC(=O)O)O)O

InChI

InChI=1S/C27H34O5S/c1-20(28)23-18-17-22(19-25(23)30)33-26(24(29)14-10-16-27(31)32)15-9-4-2-3-6-11-21-12-7-5-8-13-21/h5,7-9,12-13,15,17-19,24,26,29-30H,2-4,6,10-11,14,16H2,1H3,(H,31,32)/b15-9+