1-(1,1-dihexyl-3-oxidanylidene-aziridin-1-ium-2-yl)-2-octoxy-2-oxidanylidene-ethanesulfonic acid

Systemtic Name: 1-(1,1-dihexyl-3-oxidanylidene-aziridin-1-ium-2-yl)-2-octoxy-2-oxidanylidene-ethanesulfonic acid Openeye Name: 1-(1,1-dihexyl-3-oxo-aziridin-1-ium-2-yl)-2-octoxy-2-oxo-ethanesulfonic acid CAS Name: 1-(1,1-dihexyl-3-oxo-2-aziridin-1-iumyl)-2-octoxy-2-oxoethanesulfonic acid IUPAC Name: 1-(1,1-dihexyl-3-oxoaziridin-1-ium-2-yl)-2-octoxy-2-oxoethanesulfonic acid Traditional Name: 1-(1,1-dihexyl-3-keto-ethylenimin-1-ium-2-yl)-2-keto-2-octoxy-ethanesulfonic acid Formula: C24H46NO6S+ MolecularWeight: 476.69014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H45NO6S/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/p+1