3-ethyl-2-hexyl-2-sulfonato-butanedioate

Systemtic Name: 3-ethyl-2-hexyl-2-sulfonato-butanedioate Openeye Name: 3-ethyl-2-hexyl-2-sulfonato-butanedioate CAS Name: 3-ethyl-2-hexyl-2-sulfonatobutanedioate IUPAC Name: 3-ethyl-2-hexyl-2-sulfonatobutanedioate Traditional Name: 3-ethyl-2-hexyl-2-sulfonato-succinate Formula: C12H19O7S-3 MolecularWeight: 307.34006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CC)C(=O)[O-])(C(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCC(C(CC)C(=O)[O-])(C(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C12H22O7S/c1-3-5-6-7-8-12(11(15)16,20(17,18)19)9(4-2)10(13)14/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)(H,17,18,19)/p-3