(3-isocyanatophenyl)methanesulfonate; tetrabutylazanium

Systemtic Name: (3-isocyanatophenyl)methanesulfonate; tetrabutylazanium Openeye Name: (3-isocyanatophenyl)methanesulfonate; tetrabutylammonium CAS Name: (3-isocyanatophenyl)methanesulfonate; tetrabutylammonium IUPAC Name: (3-isocyanatophenyl)methanesulfonate; tetrabutylazanium Traditional Name: (3-isocyanatophenyl)methanesulfonate; tetrabutylammonium Formula: C24H42N2O4S MolecularWeight: 454.66628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H36N.C8H7NO4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;10-6-9-8-3-1-2-7(4-8)5-14(11,12)13/h5-16H2,1-4H3;1-4H,5H2,(H,11,12,13)/q+1;/p-1