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

Systemtic Name: 2-[3-iodanyl-4-[(E)-3-(2-methylsulfonyloxyphenyl)-3-phenyl-prop-2-enyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[3-iodo-4-[(E)-3-(2-methylsulfonyloxyphenyl)-3-phenyl-allyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[3-iodo-4-[[(E)-3-(2-methylsulfonyloxyphenyl)-3-phenylprop-2-enyl]thio]phenoxy]acetic acid IUPAC Name: 2-[3-iodo-4-[(E)-3-(2-methylsulfonyloxyphenyl)-3-phenylprop-2-enyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[3-iodo-4-[[(E)-3-(2-methylsulfonyloxyphenyl)-3-phenyl-allyl]thio]phenoxy]acetic acid Formula: C24H21IO6S2 MolecularWeight: 596.45441

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC=C1C(=CCSC2=C(C=C(C=C2)OCC(=O)O)I)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC=C1/C(=C/CSC2=C(C=C(C=C2)OCC(=O)O)I)/C3=CC=CC=C3

InChI

InChI=1S/C24H21IO6S2/c1-33(28,29)31-22-10-6-5-9-20(22)19(17-7-3-2-4-8-17)13-14-32-23-12-11-18(15-21(23)25)30-16-24(26)27/h2-13,15H,14,16H2,1H3,(H,26,27)/b19-13+