3-oxidanyl-5-(4-sulfophenyl)sulfanyl-pentanoic acid

Systemtic Name: 3-oxidanyl-5-(4-sulfophenyl)sulfanyl-pentanoic acid Openeye Name: 3-hydroxy-5-(4-sulfophenyl)sulfanyl-pentanoic acid CAS Name: 3-hydroxy-5-[(4-sulfophenyl)thio]pentanoic acid IUPAC Name: 3-hydroxy-5-(4-sulfophenyl)sulfanylpentanoic acid Traditional Name: 3-hydroxy-5-[(4-sulfophenyl)thio]valeric acid Formula: C11H14O6S2 MolecularWeight: 306.35526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCC(CC(=O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1SCCC(CC(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C11H14O6S2/c12-8(7-11(13)14)5-6-18-9-1-3-10(4-2-9)19(15,16)17/h1-4,8,12H,5-7H2,(H,13,14)(H,15,16,17)