2-oxidanyl-2-[(4-phenoxyphenyl)sulfonylmethyl]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-oxidanyl-2-[(4-phenoxyphenyl)sulfonylmethyl]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-(benzylsulfanylmethyl)-2-hydroxy-3-(4-phenoxyphenyl)sulfonyl-propanoic acid CAS Name: 2-hydroxy-2-[(4-phenoxyphenyl)sulfonylmethyl]-3-(phenylmethylthio)propanoic acid IUPAC Name: 2-(benzylsulfanylmethyl)-2-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanoic acid Traditional Name: 2-[(benzylthio)methyl]-2-hydroxy-3-(4-phenoxyphenyl)sulfonyl-propionic acid Formula: C23H22O6S2 MolecularWeight: 458.54718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC(CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)(C(=O)O)O

InChI

InChI=1S/C23H22O6S2/c24-22(25)23(26,16-30-15-18-7-3-1-4-8-18)17-31(27,28)21-13-11-20(12-14-21)29-19-9-5-2-6-10-19/h1-14,26H,15-17H2,(H,24,25)