2-octyl-2-sulfo-pentanedioic acid

Systemtic Name: 2-octyl-2-sulfo-pentanedioic acid Openeye Name: 2-octyl-2-sulfo-pentanedioic acid CAS Name: 2-octyl-2-sulfopentanedioic acid IUPAC Name: 2-octyl-2-sulfopentanedioic acid Traditional Name: 2-octyl-2-sulfo-glutaric acid Formula: C13H24O7S MolecularWeight: 324.39046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCC(=O)O)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC(CCC(=O)O)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H24O7S/c1-2-3-4-5-6-7-9-13(12(16)17,21(18,19)20)10-8-11(14)15/h2-10H2,1H3,(H,14,15)(H,16,17)(H,18,19,20)