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

Systemtic Name: 2-oxidanyl-2-[(4-phenoxyphenyl)sulfonylmethyl]-3-phenylsulfanyl-propanoic acid Openeye Name: 2-hydroxy-2-[(4-phenoxyphenyl)sulfonylmethyl]-3-phenylsulfanyl-propanoic acid CAS Name: 2-hydroxy-2-[(4-phenoxyphenyl)sulfonylmethyl]-3-(phenylthio)propanoic acid IUPAC Name: 2-hydroxy-2-[(4-phenoxyphenyl)sulfonylmethyl]-3-phenylsulfanylpropanoic acid Traditional Name: 2-hydroxy-2-[(4-phenoxyphenyl)sulfonylmethyl]-3-(phenylthio)propionic acid Formula: C22H20O6S2 MolecularWeight: 444.5206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)CC(CSC3=CC=CC=C3)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)CC(CSC3=CC=CC=C3)(C(=O)O)O

InChI

InChI=1S/C22H20O6S2/c23-21(24)22(25,15-29-19-9-5-2-6-10-19)16-30(26,27)20-13-11-18(12-14-20)28-17-7-3-1-4-8-17/h1-14,25H,15-16H2,(H,23,24)