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

Systemtic Name: 2-(2-sulfoheptan-3-yl)pentanedioic acid Openeye Name: 2-[1-(1-sulfoethyl)pentyl]pentanedioic acid CAS Name: 2-(2-sulfoheptan-3-yl)pentanedioic acid IUPAC Name: 2-(2-sulfoheptan-3-yl)pentanedioic acid Traditional Name: 2-[1-(1-sulfoethyl)pentyl]glutaric acid Formula: C12H22O7S MolecularWeight: 310.36388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)S(=O)(=O)O)C(CCC(=O)O)C(=O)O

Isomeric SMILES

CCCCC(C(C)S(=O)(=O)O)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C12H22O7S/c1-3-4-5-9(8(2)20(17,18)19)10(12(15)16)6-7-11(13)14/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)(H,17,18,19)