2-(1-phenyl-3-sulfo-propan-2-yl)pentanedioic acid

Systemtic Name: 2-(1-phenyl-3-sulfo-propan-2-yl)pentanedioic acid Openeye Name: 2-(1-benzyl-2-sulfo-ethyl)pentanedioic acid CAS Name: 2-(1-phenyl-3-sulfopropan-2-yl)pentanedioic acid IUPAC Name: 2-(1-phenyl-3-sulfopropan-2-yl)pentanedioic acid Traditional Name: 2-(1-benzyl-2-sulfo-ethyl)glutaric acid Formula: C14H18O7S MolecularWeight: 330.35352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O7S/c15-13(16)7-6-12(14(17)18)11(9-22(19,20)21)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,15,16)(H,17,18)(H,19,20,21)