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

Systemtic Name: 2-[4-[(E)-3-(4-iodophenyl)-3-phenyl-prop-2-enyl]sulfanyl-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-3-(4-iodophenyl)-3-phenyl-allyl]sulfanyl-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[[(E)-3-(4-iodophenyl)-3-phenylprop-2-enyl]thio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-3-(4-iodophenyl)-3-phenylprop-2-enyl]sulfanyl-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[[(E)-3-(4-iodophenyl)-3-phenyl-allyl]thio]-2-methyl-phenoxy]acetic acid Formula: C24H21IO3S MolecularWeight: 516.39121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21IO3S/c1-17-15-21(11-12-23(17)28-16-24(26)27)29-14-13-22(18-5-3-2-4-6-18)19-7-9-20(25)10-8-19/h2-13,15H,14,16H2,1H3,(H,26,27)/b22-13+