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

Systemtic Name: 2-[(4-butoxyphenyl)sulfonylmethyl]-2-oxidanyl-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-(benzylsulfanylmethyl)-3-(4-butoxyphenyl)sulfonyl-2-hydroxy-propanoic acid CAS Name: 2-[(4-butoxyphenyl)sulfonylmethyl]-2-hydroxy-3-(phenylmethylthio)propanoic acid IUPAC Name: 2-(benzylsulfanylmethyl)-3-(4-butoxyphenyl)sulfonyl-2-hydroxypropanoic acid Traditional Name: 2-[(benzylthio)methyl]-3-(4-butoxyphenyl)sulfonyl-2-hydroxy-propionic acid Formula: C21H26O6S2 MolecularWeight: 438.55754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)CC(CSCC2=CC=CC=C2)(C(=O)O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)CC(CSCC2=CC=CC=C2)(C(=O)O)O

InChI

InChI=1S/C21H26O6S2/c1-2-3-13-27-18-9-11-19(12-10-18)29(25,26)16-21(24,20(22)23)15-28-14-17-7-5-4-6-8-17/h4-12,24H,2-3,13-16H2,1H3,(H,22,23)