sodium 2,3-dihexyl-2-sulfo-butanedioate

Systemtic Name: sodium 2,3-dihexyl-2-sulfo-butanedioate Openeye Name: sodium 2,3-dihexyl-2-sulfo-butanedioate CAS Name: sodium 2,3-dihexyl-2-sulfobutanedioate IUPAC Name: sodium 2,3-dihexyl-2-sulfobutanedioate Traditional Name: sodium 2,3-dihexyl-2-sulfo-succinate Formula: C16H28NaO7S- MolecularWeight: 387.44409

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)[O-])C(CCCCCC)(C(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCC(C(=O)[O-])C(CCCCCC)(C(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C16H30O7S.Na/c1-3-5-7-9-11-13(14(17)18)16(15(19)20,24(21,22)23)12-10-8-6-4-2;/h13H,3-12H2,1-2H3,(H,17,18)(H,19,20)(H,21,22,23);/q;+1/p-2