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

Systemtic Name: 2-[2-bromanyl-4-[(E)-3-(4-methylsulfonyloxyphenyl)-3-phenyl-prop-2-enyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-4-[(E)-3-(4-methylsulfonyloxyphenyl)-3-phenyl-allyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[2-bromo-4-[[(E)-3-(4-methylsulfonyloxyphenyl)-3-phenylprop-2-enyl]thio]phenoxy]acetic acid IUPAC Name: 2-[2-bromo-4-[(E)-3-(4-methylsulfonyloxyphenyl)-3-phenylprop-2-enyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[2-bromo-4-[[(E)-3-(4-methylsulfonyloxyphenyl)-3-phenyl-allyl]thio]phenoxy]acetic acid Formula: C24H21BrO6S2 MolecularWeight: 549.45394

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)C(=CCSC2=CC(=C(C=C2)OCC(=O)O)Br)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H21BrO6S2/c1-33(28,29)31-19-9-7-18(8-10-19)21(17-5-3-2-4-6-17)13-14-32-20-11-12-23(22(25)15-20)30-16-24(26)27/h2-13,15H,14,16H2,1H3,(H,26,27)/b21-13+