azanium 2-sulfo-2,3-di(undecyl)butanedioate

Systemtic Name: azanium 2-sulfo-2,3-di(undecyl)butanedioate Openeye Name: ammonium 2-sulfo-2,3-di(undecyl)butanedioate CAS Name: ammonium 2-sulfo-2,3-di(undecyl)butanedioate IUPAC Name: azanium 2-sulfo-2,3-di(undecyl)butanedioate Traditional Name: ammonium 2-sulfo-2,3-di(undecyl)succinate Formula: C26H52NO7S- MolecularWeight: 522.75858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(=O)[O-])C(CCCCCCCCCCC)(C(=O)[O-])S(=O)(=O)O.[NH4+]

Isomeric SMILES

CCCCCCCCCCCC(C(=O)[O-])C(CCCCCCCCCCC)(C(=O)[O-])S(=O)(=O)O.[NH4+]

InChI

InChI=1S/C26H50O7S.H3N/c1-3-5-7-9-11-13-15-17-19-21-23(24(27)28)26(25(29)30,34(31,32)33)22-20-18-16-14-12-10-8-6-4-2;/h23H,3-22H2,1-2H3,(H,27,28)(H,29,30)(H,31,32,33);1H3/p-1