sodium 1-(1,1-dihexyl-3-oxidanylidene-aziridin-1-ium-2-yl)-2-octoxy-2-oxidanylidene-ethanesulfonate

Systemtic Name: sodium 1-(1,1-dihexyl-3-oxidanylidene-aziridin-1-ium-2-yl)-2-octoxy-2-oxidanylidene-ethanesulfonate Openeye Name: sodium 1-(1,1-dihexyl-3-oxo-aziridin-1-ium-2-yl)-2-octoxy-2-oxo-ethanesulfonate CAS Name: sodium 1-(1,1-dihexyl-3-oxo-2-aziridin-1-iumyl)-2-octoxy-2-oxoethanesulfonate IUPAC Name: sodium 1-(1,1-dihexyl-3-oxoaziridin-1-ium-2-yl)-2-octoxy-2-oxoethanesulfonate Traditional Name: sodium 1-(1,1-dihexyl-3-keto-ethylenimin-1-ium-2-yl)-2-keto-2-octoxy-ethanesulfonate Formula: C24H45NNaO6S+ MolecularWeight: 498.67197

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(C1C(=O)[N+]1(CCCCCC)CCCCCC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCOC(=O)C(C1C(=O)[N+]1(CCCCCC)CCCCCC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C24H45NO6S.Na/c1-4-7-10-13-14-17-20-31-24(27)22(32(28,29)30)21-23(26)25(21,18-15-11-8-5-2)19-16-12-9-6-3;/h21-22H,4-20H2,1-3H3;/q;+1