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

Systemtic Name: (E)-6-(4-chlorophenyl)sulfanyl-5-oxidanyl-9-phenyl-non-7-enoic acid Openeye Name: (E)-6-(4-chlorophenyl)sulfanyl-5-hydroxy-9-phenyl-non-7-enoic acid CAS Name: (E)-6-[(4-chlorophenyl)thio]-5-hydroxy-9-phenyl-7-nonenoic acid IUPAC Name: (E)-6-(4-chlorophenyl)sulfanyl-5-hydroxy-9-phenylnon-7-enoic acid Traditional Name: (E)-6-[(4-chlorophenyl)thio]-5-hydroxy-9-phenyl-non-7-enoic acid Formula: C21H23ClO3S MolecularWeight: 390.92352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC=CC(C(CCCC(=O)O)O)SC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)C/C=C/C(C(CCCC(=O)O)O)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H23ClO3S/c22-17-12-14-18(15-13-17)26-20(19(23)9-5-11-21(24)25)10-4-8-16-6-2-1-3-7-16/h1-4,6-7,10,12-15,19-20,23H,5,8-9,11H2,(H,24,25)/b10-4+