(3-tert-butyl-1-oxidanyl-1-oxidanylidene-3-sulfo-henicosan-2-yl)-trimethyl-azanium

Systemtic Name: (3-tert-butyl-1-oxidanyl-1-oxidanylidene-3-sulfo-henicosan-2-yl)-trimethyl-azanium Openeye Name: (2-tert-butyl-1-carboxy-2-sulfo-icosyl)-trimethyl-ammonium CAS Name: (3-tert-butyl-1-hydroxy-1-oxo-3-sulfoheneicosan-2-yl)-trimethylammonium IUPAC Name: (3-tert-butyl-1-hydroxy-1-oxo-3-sulfohenicosan-2-yl)-trimethylazanium Traditional Name: (2-tert-butyl-1-carboxy-2-sulfo-eicosyl)-trimethyl-ammonium Formula: C28H58NO5S+ MolecularWeight: 520.82882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H57NO5S/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(27(2,3)4,35(32,33)34)25(26(30)31)29(5,6)7/h25H,8-24H2,1-7H3,(H-,30,31,32,33,34)/p+1