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

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

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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)I

Isomeric SMILES

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

InChI

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