2-[[4-(4-nitrophenoxy)-4-oxidanylidene-butanoyl]amino]ethanesulfonate; tetrabutylazanium

Systemtic Name: 2-[[4-(4-nitrophenoxy)-4-oxidanylidene-butanoyl]amino]ethanesulfonate; tetrabutylazanium Openeye Name: 2-[[4-(4-nitrophenoxy)-4-oxo-butanoyl]amino]ethanesulfonate; tetrabutylammonium CAS Name: 2-[[4-(4-nitrophenoxy)-1,4-dioxobutyl]amino]ethanesulfonate; tetrabutylammonium IUPAC Name: 2-[[4-(4-nitrophenoxy)-4-oxobutanoyl]amino]ethanesulfonate; tetrabutylazanium Traditional Name: 2-[[4-keto-4-(4-nitrophenoxy)butanoyl]amino]ethanesulfonate; tetrabutylammonium Formula: C28H49N3O8S MolecularWeight: 587.76896

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CCC(=O)NCCS(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CCC(=O)NCCS(=O)(=O)[O-]

InChI

InChI=1S/C16H36N.C12H14N2O8S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;15-11(13-7-8-23(19,20)21)5-6-12(16)22-10-3-1-9(2-4-10)14(17)18/h5-16H2,1-4H3;1-4H,5-8H2,(H,13,15)(H,19,20,21)/q+1;/p-1