2-[4-[(E)-3-(4-chlorophenyl)-3-[4-(3-methoxyphenyl)phenyl]prop-2-enyl]sulfanyl-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-3-(4-chlorophenyl)-3-[4-(3-methoxyphenyl)phenyl]prop-2-enyl]sulfanyl-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-3-(4-chlorophenyl)-3-[4-(3-methoxyphenyl)phenyl]allyl]sulfanyl-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[[(E)-3-(4-chlorophenyl)-3-[4-(3-methoxyphenyl)phenyl]prop-2-enyl]thio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-3-(4-chlorophenyl)-3-[4-(3-methoxyphenyl)phenyl]prop-2-enyl]sulfanyl-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[[(E)-3-(4-chlorophenyl)-3-[4-(3-methoxyphenyl)phenyl]allyl]thio]-2-methyl-phenoxy]acetic acid Formula: C31H27ClO4S MolecularWeight: 531.06168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC=C(C2=CC=C(C=C2)C3=CC(=CC=C3)OC)C4=CC=C(C=C4)Cl)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SC/C=C(\C2=CC=C(C=C2)C3=CC(=CC=C3)OC)/C4=CC=C(C=C4)Cl)OCC(=O)O

InChI

InChI=1S/C31H27ClO4S/c1-21-18-28(14-15-30(21)36-20-31(33)34)37-17-16-29(24-10-12-26(32)13-11-24)23-8-6-22(7-9-23)25-4-3-5-27(19-25)35-2/h3-16,18-19H,17,20H2,1-2H3,(H,33,34)/b29-16+