triazanium 2,3-dihexyl-2-sulfonato-butanedioate

Systemtic Name: triazanium 2,3-dihexyl-2-sulfonato-butanedioate Openeye Name: triammonium 2,3-dihexyl-2-sulfonato-butanedioate CAS Name: triammonium 2,3-dihexyl-2-sulfonatobutanedioate IUPAC Name: triazanium 2,3-dihexyl-2-sulfonatobutanedioate Traditional Name: triammonium 2,3-dihexyl-2-sulfonato-succinate Formula: C16H39N3O7S MolecularWeight: 417.56176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)[O-])C(CCCCCC)(C(=O)[O-])S(=O)(=O)[O-].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

CCCCCCC(C(=O)[O-])C(CCCCCC)(C(=O)[O-])S(=O)(=O)[O-].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C16H30O7S.3H3N/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);3*1H3