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

Systemtic Name: 2-[2-methyl-4-[(E)-3-(3-methylphenyl)-3-phenyl-prop-2-enyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[(E)-3-(m-tolyl)-3-phenyl-allyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[[(E)-3-(3-methylphenyl)-3-phenylprop-2-enyl]thio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[(E)-3-(3-methylphenyl)-3-phenylprop-2-enyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[2-methyl-4-[[(E)-3-(m-tolyl)-3-phenyl-allyl]thio]phenoxy]acetic acid Formula: C25H24O3S MolecularWeight: 404.52126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=CCSC2=CC(=C(C=C2)OCC(=O)O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)/C(=C/CSC2=CC(=C(C=C2)OCC(=O)O)C)/C3=CC=CC=C3

InChI

InChI=1S/C25H24O3S/c1-18-7-6-10-21(15-18)23(20-8-4-3-5-9-20)13-14-29-22-11-12-24(19(2)16-22)28-17-25(26)27/h3-13,15-16H,14,17H2,1-2H3,(H,26,27)/b23-13+