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

Systemtic Name: (E)-6-(4-chlorophenyl)sulfanyl-5-oxidanyl-13-phenyl-tridec-7-enoic acid Openeye Name: (E)-6-(4-chlorophenyl)sulfanyl-5-hydroxy-13-phenyl-tridec-7-enoic acid CAS Name: (E)-6-[(4-chlorophenyl)thio]-5-hydroxy-13-phenyl-7-tridecenoic acid IUPAC Name: (E)-6-(4-chlorophenyl)sulfanyl-5-hydroxy-13-phenyltridec-7-enoic acid Traditional Name: (E)-6-[(4-chlorophenyl)thio]-5-hydroxy-13-phenyl-tridec-7-enoic acid Formula: C25H31ClO3S MolecularWeight: 447.02984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClO3S/c26-21-16-18-22(19-17-21)30-24(23(27)13-9-15-25(28)29)14-8-3-1-2-5-10-20-11-6-4-7-12-20/h4,6-8,11-12,14,16-19,23-24,27H,1-3,5,9-10,13,15H2,(H,28,29)/b14-8+