methanesulfonate; (12-oxidanyl-12-oxidanylidene-dodecyl)azanium

Systemtic Name: methanesulfonate; (12-oxidanyl-12-oxidanylidene-dodecyl)azanium Openeye Name: (12-hydroxy-12-oxo-dodecyl)ammonium; methanesulfonate CAS Name: (12-hydroxy-12-oxododecyl)ammonium; methanesulfonate IUPAC Name: (12-hydroxy-12-oxododecyl)azanium; methanesulfonate Traditional Name: (12-hydroxy-12-keto-dodecyl)ammonium mesylate Formula: C13H29NO5S MolecularWeight: 311.43806

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C(CCCCCC(=O)O)CCCCC[NH3+]

Isomeric SMILES

CS(=O)(=O)[O-].C(CCCCCC(=O)O)CCCCC[NH3+]

InChI

InChI=1S/C12H25NO2.CH4O3S/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15;1-5(2,3)4/h1-11,13H2,(H,14,15);1H3,(H,2,3,4)