2-(2-sulfohexan-3-yl)pentanedioic acid

Systemtic Name: 2-(2-sulfohexan-3-yl)pentanedioic acid Openeye Name: 2-[1-(1-sulfoethyl)butyl]pentanedioic acid CAS Name: 2-(2-sulfohexan-3-yl)pentanedioic acid IUPAC Name: 2-(2-sulfohexan-3-yl)pentanedioic acid Traditional Name: 2-[1-(1-sulfoethyl)butyl]glutaric acid Formula: C11H20O7S MolecularWeight: 296.3373

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)S(=O)(=O)O)C(CCC(=O)O)C(=O)O

Isomeric SMILES

CCCC(C(C)S(=O)(=O)O)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C11H20O7S/c1-3-4-8(7(2)19(16,17)18)9(11(14)15)5-6-10(12)13/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)(H,16,17,18)