2-[3-[4-(4-methylsulfonylphenyl)-2-(phenylsulfanylmethyl)phenoxy]phenyl]ethanoic acid

Systemtic Name: 2-[3-[4-(4-methylsulfonylphenyl)-2-(phenylsulfanylmethyl)phenoxy]phenyl]ethanoic acid Openeye Name: 2-[3-[4-(4-methylsulfonylphenyl)-2-(phenylsulfanylmethyl)phenoxy]phenyl]acetic acid CAS Name: 2-[3-[4-(4-methylsulfonylphenyl)-2-[(phenylthio)methyl]phenoxy]phenyl]acetic acid IUPAC Name: 2-[3-[4-(4-methylsulfonylphenyl)-2-(phenylsulfanylmethyl)phenoxy]phenyl]acetic acid Traditional Name: 2-[3-[4-(4-mesylphenyl)-2-[(phenylthio)methyl]phenoxy]phenyl]acetic acid Formula: C28H24O5S2 MolecularWeight: 504.61716

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)OC3=CC=CC(=C3)CC(=O)O)CSC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)OC3=CC=CC(=C3)CC(=O)O)CSC4=CC=CC=C4

InChI

InChI=1S/C28H24O5S2/c1-35(31,32)26-13-10-21(11-14-26)22-12-15-27(23(18-22)19-34-25-8-3-2-4-9-25)33-24-7-5-6-20(16-24)17-28(29)30/h2-16,18H,17,19H2,1H3,(H,29,30)