2-[(5-chloranyl-2-phenyl-phenyl)sulfonylmethyl]-2-oxidanyl-4-(phenylmethylsulfanyl)pentanoic acid

Systemtic Name: 2-[(5-chloranyl-2-phenyl-phenyl)sulfonylmethyl]-2-oxidanyl-4-(phenylmethylsulfanyl)pentanoic acid Openeye Name: 4-benzylsulfanyl-2-[(5-chloro-2-phenyl-phenyl)sulfonylmethyl]-2-hydroxy-pentanoic acid CAS Name: 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-4-(phenylmethylthio)pentanoic acid IUPAC Name: 4-benzylsulfanyl-2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxypentanoic acid Traditional Name: 4-(benzylthio)-2-[(5-chloro-2-phenyl-phenyl)sulfonylmethyl]-2-hydroxy-valeric acid Formula: C25H25ClO5S2 MolecularWeight: 505.046

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CS(=O)(=O)C1=C(C=CC(=C1)Cl)C2=CC=CC=C2)(C(=O)O)O)SCC3=CC=CC=C3

Isomeric SMILES

CC(CC(CS(=O)(=O)C1=C(C=CC(=C1)Cl)C2=CC=CC=C2)(C(=O)O)O)SCC3=CC=CC=C3

InChI

InChI=1S/C25H25ClO5S2/c1-18(32-16-19-8-4-2-5-9-19)15-25(29,24(27)28)17-33(30,31)23-14-21(26)12-13-22(23)20-10-6-3-7-11-20/h2-14,18,29H,15-17H2,1H3,(H,27,28)