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

Systemtic Name: 2-[(4-butoxyphenyl)sulfonylmethyl]-2-oxidanyl-4-(phenylmethylsulfanyl)pentanoic acid Openeye Name: 4-benzylsulfanyl-2-[(4-butoxyphenyl)sulfonylmethyl]-2-hydroxy-pentanoic acid CAS Name: 2-[(4-butoxyphenyl)sulfonylmethyl]-2-hydroxy-4-(phenylmethylthio)pentanoic acid IUPAC Name: 4-benzylsulfanyl-2-[(4-butoxyphenyl)sulfonylmethyl]-2-hydroxypentanoic acid Traditional Name: 4-(benzylthio)-2-[(4-butoxyphenyl)sulfonylmethyl]-2-hydroxy-valeric acid Formula: C23H30O6S2 MolecularWeight: 466.6107

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30O6S2/c1-3-4-14-29-20-10-12-21(13-11-20)31(27,28)17-23(26,22(24)25)15-18(2)30-16-19-8-6-5-7-9-19/h5-13,18,26H,3-4,14-17H2,1-2H3,(H,24,25)