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

Systemtic Name: 2-[3-methyl-4-[(E)-3-(3-methylsulfonyloxyphenyl)-3-phenyl-prop-2-enyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[3-methyl-4-[(E)-3-(3-methylsulfonyloxyphenyl)-3-phenyl-allyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[3-methyl-4-[[(E)-3-(3-methylsulfonyloxyphenyl)-3-phenylprop-2-enyl]thio]phenoxy]acetic acid IUPAC Name: 2-[3-methyl-4-[(E)-3-(3-methylsulfonyloxyphenyl)-3-phenylprop-2-enyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[3-methyl-4-[[(E)-3-(3-methylsulfonyloxyphenyl)-3-phenyl-allyl]thio]phenoxy]acetic acid Formula: C25H24O6S2 MolecularWeight: 484.58446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)O)SCC=C(C2=CC=CC=C2)C3=CC(=CC=C3)OS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)O)SC/C=C(\C2=CC=CC=C2)/C3=CC(=CC=C3)OS(=O)(=O)C

InChI

InChI=1S/C25H24O6S2/c1-18-15-21(30-17-25(26)27)11-12-24(18)32-14-13-23(19-7-4-3-5-8-19)20-9-6-10-22(16-20)31-33(2,28)29/h3-13,15-16H,14,17H2,1-2H3,(H,26,27)/b23-13+