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

Systemtic Name: 2-[(4-methoxyphenyl)sulfonylmethyl]-3-(4-phenylphenyl)sulfanyl-propanoic acid Openeye Name: 2-[(4-methoxyphenyl)sulfonylmethyl]-3-(4-phenylphenyl)sulfanyl-propanoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonylmethyl]-3-[(4-phenylphenyl)thio]propanoic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfonylmethyl]-3-(4-phenylphenyl)sulfanylpropanoic acid Traditional Name: 2-[(4-methoxyphenyl)sulfonylmethyl]-3-[(4-phenylphenyl)thio]propionic acid Formula: C23H22O5S2 MolecularWeight: 442.54778

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H22O5S2/c1-28-20-9-13-22(14-10-20)30(26,27)16-19(23(24)25)15-29-21-11-7-18(8-12-21)17-5-3-2-4-6-17/h2-14,19H,15-16H2,1H3,(H,24,25)