2-(1-phenyl-2-sulfo-butyl)pentanedioic acid

Systemtic Name: 2-(1-phenyl-2-sulfo-butyl)pentanedioic acid Openeye Name: 2-(1-phenyl-2-sulfo-butyl)pentanedioic acid CAS Name: 2-(1-phenyl-2-sulfobutyl)pentanedioic acid IUPAC Name: 2-(1-phenyl-2-sulfobutyl)pentanedioic acid Traditional Name: 2-(1-phenyl-2-sulfo-butyl)glutaric acid Formula: C15H20O7S MolecularWeight: 344.3801

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)C(CCC(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC(C(C1=CC=CC=C1)C(CCC(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H20O7S/c1-2-12(23(20,21)22)14(10-6-4-3-5-7-10)11(15(18)19)8-9-13(16)17/h3-7,11-12,14H,2,8-9H2,1H3,(H,16,17)(H,18,19)(H,20,21,22)