2-octan-3-yl-2-sulfo-butanedioate

Systemtic Name: 2-octan-3-yl-2-sulfo-butanedioate Openeye Name: 2-(1-ethylhexyl)-2-sulfo-butanedioate CAS Name: 2-octan-3-yl-2-sulfobutanedioate IUPAC Name: 2-octan-3-yl-2-sulfobutanedioate Traditional Name: 2-(1-ethylhexyl)-2-sulfo-succinate Formula: C12H20O7S-2 MolecularWeight: 308.348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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