2-(2,2-dimethylpropanoylamino)-3-methoxy-benzenesulfonate; tetrabutylazanium

Systemtic Name: 2-(2,2-dimethylpropanoylamino)-3-methoxy-benzenesulfonate; tetrabutylazanium Openeye Name: 2-(2,2-dimethylpropanoylamino)-3-methoxy-benzenesulfonate; tetrabutylammonium CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-3-methoxybenzenesulfonate; tetrabutylammonium IUPAC Name: 2-(2,2-dimethylpropanoylamino)-3-methoxybenzenesulfonate; tetrabutylazanium Traditional Name: 3-methoxy-2-(pivaloylamino)besylate; tetrabutylammonium Formula: C28H52N2O5S MolecularWeight: 528.78788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CC(C)(C)C(=O)NC1=C(C=CC=C1S(=O)(=O)[O-])OC

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CC(C)(C)C(=O)NC1=C(C=CC=C1S(=O)(=O)[O-])OC

InChI

InChI=1S/C16H36N.C12H17NO5S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-12(2,3)11(14)13-10-8(18-4)6-5-7-9(10)19(15,16)17/h5-16H2,1-4H3;5-7H,1-4H3,(H,13,14)(H,15,16,17)/q+1;/p-1