sodium 2,2-dibutyl-4-heptan-3-yl-1,5-bis(oxidanylidene)-6-oxa-2-azoniaspiro[2.3]hexane-4-sulfonate

Systemtic Name: sodium 2,2-dibutyl-4-heptan-3-yl-1,5-bis(oxidanylidene)-6-oxa-2-azoniaspiro[2.3]hexane-4-sulfonate Openeye Name: sodium 2,2-dibutyl-4-(1-ethylpentyl)-1,5-dioxo-6-oxa-2-azoniaspiro[2.3]hexane-4-sulfonate CAS Name: sodium 2,2-dibutyl-4-heptan-3-yl-1,5-dioxo-6-oxa-2-azoniaspiro[2.3]hexane-4-sulfonate IUPAC Name: sodium 2,2-dibutyl-4-heptan-3-yl-1,5-dioxo-6-oxa-2-azoniaspiro[2.3]hexane-4-sulfonate Traditional Name: sodium 2,2-dibutyl-4-(1-ethylpentyl)-1,5-diketo-6-oxa-2-azoniaspiro[2.3]hexane-4-sulfonate Formula: C19H33NNaO6S+ MolecularWeight: 426.52319

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1(C(=O)OC12C(=O)[N+]2(CCCC)CCCC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC(CC)C1(C(=O)OC12C(=O)[N+]2(CCCC)CCCC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H33NO6S.Na/c1-5-9-12-15(8-4)18(27(23,24)25)17(22)26-19(18)16(21)20(19,13-10-6-2)14-11-7-3;/h15H,5-14H2,1-4H3;/q;+1