2-hexyl-3,3-dimethyl-2-sulfo-butanedioic acid

Systemtic Name: 2-hexyl-3,3-dimethyl-2-sulfo-butanedioic acid Openeye Name: 2-hexyl-3,3-dimethyl-2-sulfo-butanedioic acid CAS Name: 2-hexyl-3,3-dimethyl-2-sulfobutanedioic acid IUPAC Name: 2-hexyl-3,3-dimethyl-2-sulfobutanedioic acid Traditional Name: 2-hexyl-3,3-dimethyl-2-sulfo-succinic acid Formula: C12H22O7S MolecularWeight: 310.36388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)(C(C)(C)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCC(C(=O)O)(C(C)(C)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H22O7S/c1-4-5-6-7-8-12(10(15)16,20(17,18)19)11(2,3)9(13)14/h4-8H2,1-3H3,(H,13,14)(H,15,16)(H,17,18,19)