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

Systemtic Name: 2-(1-phenyl-3-sulfo-pentan-2-yl)pentanedioic acid Openeye Name: 2-(1-benzyl-2-sulfo-butyl)pentanedioic acid CAS Name: 2-(1-phenyl-3-sulfopentan-2-yl)pentanedioic acid IUPAC Name: 2-(1-phenyl-3-sulfopentan-2-yl)pentanedioic acid Traditional Name: 2-(1-benzyl-2-sulfo-butyl)glutaric acid Formula: C16H22O7S MolecularWeight: 358.40668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC1=CC=CC=C1)C(CCC(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC(C(CC1=CC=CC=C1)C(CCC(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H22O7S/c1-2-14(24(21,22)23)13(10-11-6-4-3-5-7-11)12(16(19)20)8-9-15(17)18/h3-7,12-14H,2,8-10H2,1H3,(H,17,18)(H,19,20)(H,21,22,23)