trimethyl-(1-oxidanyl-1-oxidanylidene-2-sulfo-icosan-2-yl)azanium

Systemtic Name: trimethyl-(1-oxidanyl-1-oxidanylidene-2-sulfo-icosan-2-yl)azanium Openeye Name: (1-carboxy-1-sulfo-nonadecyl)-trimethyl-ammonium CAS Name: (1-hydroxy-1-oxo-2-sulfoeicosan-2-yl)-trimethylammonium IUPAC Name: (1-hydroxy-1-oxo-2-sulfoicosan-2-yl)-trimethylazanium Traditional Name: (1-carboxy-1-sulfo-nonadecyl)-trimethyl-ammonium Formula: C23H48NO5S+ MolecularWeight: 450.69592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(=O)O)([N+](C)(C)C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(=O)O)([N+](C)(C)C)S(=O)(=O)O

InChI

InChI=1S/C23H47NO5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(22(25)26,24(2,3)4)30(27,28)29/h5-21H2,1-4H3,(H-,25,26,27,28,29)/p+1