4-ethoxycarbonylbenzenesulfinate; tetrabutylazanium

Systemtic Name: 4-ethoxycarbonylbenzenesulfinate; tetrabutylazanium Openeye Name: 4-ethoxycarbonylbenzenesulfinate; tetrabutylammonium CAS Name: 4-ethoxycarbonylbenzenesulfinate; tetrabutylammonium IUPAC Name: 4-ethoxycarbonylbenzenesulfinate; tetrabutylazanium Traditional Name: 4-carbethoxybenzenesulfinate; tetrabutylammonium Formula: C25H45NO4S MolecularWeight: 455.6941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H36N.C9H10O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-13-9(10)7-3-5-8(6-4-7)14(11)12/h5-16H2,1-4H3;3-6H,2H2,1H3,(H,11,12)/q+1;/p-1