dipotassium 4-[4-[2-methyl-3-oxidanylidene-1-(3-sulfonatopropyl)aziridin-1-ium-1-yl]phenyl]hexane-1-sulfonate

Systemtic Name: dipotassium 4-[4-[2-methyl-3-oxidanylidene-1-(3-sulfonatopropyl)aziridin-1-ium-1-yl]phenyl]hexane-1-sulfonate Openeye Name: dipotassium 4-[4-[2-methyl-3-oxo-1-(3-sulfonatopropyl)aziridin-1-ium-1-yl]phenyl]hexane-1-sulfonate CAS Name: dipotassium 4-[4-[2-methyl-3-oxo-1-(3-sulfonatopropyl)-1-aziridin-1-iumyl]phenyl]-1-hexanesulfonate IUPAC Name: dipotassium 4-[4-[2-methyl-3-oxo-1-(3-sulfonatopropyl)aziridin-1-ium-1-yl]phenyl]hexane-1-sulfonate Traditional Name: dipotassium 4-[4-[2-keto-3-methyl-1-(3-sulfonatopropyl)ethylenimin-1-ium-1-yl]phenyl]hexane-1-sulfonate Formula: C18H26K2NO7S2+ MolecularWeight: 510.72814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCS(=O)(=O)[O-])C1=CC=C(C=C1)[N+]2(C(C2=O)C)CCCS(=O)(=O)[O-].[K+].[K+]

Isomeric SMILES

CCC(CCCS(=O)(=O)[O-])C1=CC=C(C=C1)[N+]2(C(C2=O)C)CCCS(=O)(=O)[O-].[K+].[K+]

InChI

InChI=1S/C18H27NO7S2.2K/c1-3-15(6-4-12-27(21,22)23)16-7-9-17(10-8-16)19(14(2)18(19)20)11-5-13-28(24,25)26;;/h7-10,14-15H,3-6,11-13H2,1-2H3,(H-,21,22,23,24,25,26);;/q;2*+1/p-1