2-(dioctylamino)-3-sulfo-butanedioic acid

Systemtic Name: 2-(dioctylamino)-3-sulfo-butanedioic acid Openeye Name: 2-(dioctylamino)-3-sulfo-butanedioic acid CAS Name: 2-(dioctylamino)-3-sulfobutanedioic acid IUPAC Name: 2-(dioctylamino)-3-sulfobutanedioic acid Traditional Name: 2-(dioctylamino)-3-sulfo-succinic acid Formula: C20H39NO7S MolecularWeight: 437.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C(C(C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C(C(C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C20H39NO7S/c1-3-5-7-9-11-13-15-21(16-14-12-10-8-6-4-2)17(19(22)23)18(20(24)25)29(26,27)28/h17-18H,3-16H2,1-2H3,(H,22,23)(H,24,25)(H,26,27,28)