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

Systemtic Name: trimethyl-(1-oxidanyl-1-oxidanylidene-2-sulfo-octadecan-2-yl)azanium Openeye Name: (1-carboxy-1-sulfo-heptadecyl)-trimethyl-ammonium CAS Name: (1-hydroxy-1-oxo-2-sulfooctadecan-2-yl)-trimethylammonium IUPAC Name: (1-hydroxy-1-oxo-2-sulfooctadecan-2-yl)-trimethylazanium Traditional Name: (1-carboxy-1-sulfo-heptadecyl)-trimethyl-ammonium Formula: C21H44NO5S+ MolecularWeight: 422.64276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H43NO5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20(23)24,22(2,3)4)28(25,26)27/h5-19H2,1-4H3,(H-,23,24,25,26,27)/p+1