calcium 2-dodecyl-2-sulfo-butanedioate

Systemtic Name: calcium 2-dodecyl-2-sulfo-butanedioate Openeye Name: calcium 2-dodecyl-2-sulfo-butanedioate CAS Name: calcium 2-dodecyl-2-sulfobutanedioate IUPAC Name: calcium 2-dodecyl-2-sulfobutanedioate Traditional Name: calcium 2-lauryl-2-sulfo-succinate Formula: C16H28CaO7S MolecularWeight: 404.53232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O.[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCC(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O.[Ca+2]

InChI

InChI=1S/C16H30O7S.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-16(15(19)20,13-14(17)18)24(21,22)23;/h2-13H2,1H3,(H,17,18)(H,19,20)(H,21,22,23);/q;+2/p-2