2-[(4-methylphenyl)sulfonyloxymethyl]pentanedioic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyloxymethyl]pentanedioic acid Openeye Name: 2-(p-tolylsulfonyloxymethyl)pentanedioic acid CAS Name: 2-[(4-methylphenyl)sulfonyloxymethyl]pentanedioic acid IUPAC Name: 2-[(4-methylphenyl)sulfonyloxymethyl]pentanedioic acid Traditional Name: 2-(tosyloxymethyl)glutaric acid Formula: C13H16O7S MolecularWeight: 316.32694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O7S/c1-9-2-5-11(6-3-9)21(18,19)20-8-10(13(16)17)4-7-12(14)15/h2-3,5-6,10H,4,7-8H2,1H3,(H,14,15)(H,16,17)