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

Systemtic Name: 2-[(4-butoxyphenyl)sulfonylmethyl]-2-oxidanyl-3-[2-(phenylmethylsulfanyl)propylsulfanyl]propanoic acid Openeye Name: 2-(2-benzylsulfanylpropylsulfanylmethyl)-3-(4-butoxyphenyl)sulfonyl-2-hydroxy-propanoic acid CAS Name: 2-[(4-butoxyphenyl)sulfonylmethyl]-2-hydroxy-3-[2-(phenylmethylthio)propylthio]propanoic acid IUPAC Name: 2-(2-benzylsulfanylpropylsulfanylmethyl)-3-(4-butoxyphenyl)sulfonyl-2-hydroxypropanoic acid Traditional Name: 2-[[2-(benzylthio)propylthio]methyl]-3-(4-butoxyphenyl)sulfonyl-2-hydroxy-propionic acid Formula: C24H32O6S3 MolecularWeight: 512.70228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)CC(CSCC(C)SCC2=CC=CC=C2)(C(=O)O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)CC(CSCC(C)SCC2=CC=CC=C2)(C(=O)O)O

InChI

InChI=1S/C24H32O6S3/c1-3-4-14-30-21-10-12-22(13-11-21)33(28,29)18-24(27,23(25)26)17-31-15-19(2)32-16-20-8-6-5-7-9-20/h5-13,19,27H,3-4,14-18H2,1-2H3,(H,25,26)