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

Systemtic Name: 2-(1-phenyl-2-sulfo-propyl)pentanedioic acid Openeye Name: 2-(1-phenyl-2-sulfo-propyl)pentanedioic acid CAS Name: 2-(1-phenyl-2-sulfopropyl)pentanedioic acid IUPAC Name: 2-(1-phenyl-2-sulfopropyl)pentanedioic acid Traditional Name: 2-(1-phenyl-2-sulfo-propyl)glutaric acid Formula: C14H18O7S MolecularWeight: 330.35352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O7S/c1-9(22(19,20)21)13(10-5-3-2-4-6-10)11(14(17)18)7-8-12(15)16/h2-6,9,11,13H,7-8H2,1H3,(H,15,16)(H,17,18)(H,19,20,21)