(3-nitro-4-oxidanyl-phenyl)methanesulfinate; tetrabutylazanium

Systemtic Name: (3-nitro-4-oxidanyl-phenyl)methanesulfinate; tetrabutylazanium Openeye Name: (4-hydroxy-3-nitro-phenyl)methanesulfinate; tetrabutylammonium CAS Name: (4-hydroxy-3-nitrophenyl)methanesulfinate; tetrabutylammonium IUPAC Name: (4-hydroxy-3-nitrophenyl)methanesulfinate; tetrabutylazanium Traditional Name: (4-hydroxy-3-nitro-phenyl)methanesulfinate; tetrabutylammonium Formula: C23H42N2O5S MolecularWeight: 458.65498

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=C(C=C1CS(=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=C(C=C1CS(=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C16H36N.C7H7NO5S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;9-7-2-1-5(4-14(12)13)3-6(7)8(10)11/h5-16H2,1-4H3;1-3,9H,4H2,(H,12,13)/q+1;/p-1