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

Systemtic Name: 2-(1-phenyl-2-sulfo-ethyl)pentanedioic acid Openeye Name: 2-(1-phenyl-2-sulfo-ethyl)pentanedioic acid CAS Name: 2-(1-phenyl-2-sulfoethyl)pentanedioic acid IUPAC Name: 2-(1-phenyl-2-sulfoethyl)pentanedioic acid Traditional Name: 2-(1-phenyl-2-sulfo-ethyl)glutaric acid Formula: C13H16O7S MolecularWeight: 316.32694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O7S/c14-12(15)7-6-10(13(16)17)11(8-21(18,19)20)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,15)(H,16,17)(H,18,19,20)