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

Systemtic Name: 2-[2-iodanyl-4-[(E)-3-(3-methylphenyl)-3-phenyl-prop-2-enyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-iodo-4-[(E)-3-(m-tolyl)-3-phenyl-allyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[2-iodo-4-[[(E)-3-(3-methylphenyl)-3-phenylprop-2-enyl]thio]phenoxy]acetic acid IUPAC Name: 2-[2-iodo-4-[(E)-3-(3-methylphenyl)-3-phenylprop-2-enyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[2-iodo-4-[[(E)-3-(m-tolyl)-3-phenyl-allyl]thio]phenoxy]acetic acid Formula: C24H21IO3S MolecularWeight: 516.39121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21IO3S/c1-17-6-5-9-19(14-17)21(18-7-3-2-4-8-18)12-13-29-20-10-11-23(22(25)15-20)28-16-24(26)27/h2-12,14-15H,13,16H2,1H3,(H,26,27)/b21-12+