2-[(4-methoxyphenyl)sulfonylmethyl]-2-oxidanyl-3-(4-phenylphenyl)sulfanyl-propanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonylmethyl]-2-oxidanyl-3-(4-phenylphenyl)sulfanyl-propanoic acid Openeye Name: 2-hydroxy-2-[(4-methoxyphenyl)sulfonylmethyl]-3-(4-phenylphenyl)sulfanyl-propanoic acid CAS Name: 2-hydroxy-2-[(4-methoxyphenyl)sulfonylmethyl]-3-[(4-phenylphenyl)thio]propanoic acid IUPAC Name: 2-hydroxy-2-[(4-methoxyphenyl)sulfonylmethyl]-3-(4-phenylphenyl)sulfanylpropanoic acid Traditional Name: 2-hydroxy-2-[(4-methoxyphenyl)sulfonylmethyl]-3-[(4-phenylphenyl)thio]propionic acid Formula: C23H22O6S2 MolecularWeight: 458.54718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CC(CSC2=CC=C(C=C2)C3=CC=CC=C3)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CC(CSC2=CC=C(C=C2)C3=CC=CC=C3)(C(=O)O)O

InChI

InChI=1S/C23H22O6S2/c1-29-19-9-13-21(14-10-19)31(27,28)16-23(26,22(24)25)15-30-20-11-7-18(8-12-20)17-5-3-2-4-6-17/h2-14,26H,15-16H2,1H3,(H,24,25)