disodium 2-octyl-2-sulfo-butanedioate

Systemtic Name: disodium 2-octyl-2-sulfo-butanedioate Openeye Name: disodium 2-octyl-2-sulfo-butanedioate CAS Name: disodium 2-octyl-2-sulfobutanedioate IUPAC Name: disodium 2-octyl-2-sulfobutanedioate Traditional Name: disodium 2-octyl-2-sulfo-succinate Formula: C12H20Na2O7S MolecularWeight: 354.32754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCC(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C12H22O7S.2Na/c1-2-3-4-5-6-7-8-12(11(15)16,9-10(13)14)20(17,18)19;;/h2-9H2,1H3,(H,13,14)(H,15,16)(H,17,18,19);;/q;2*+1/p-2