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4-phenoxybenzenesulfonate; tetrabutylazanium

4-phenoxybenzenesulfonate; tetrabutylazanium

Systemtic Name:4-phenoxybenzenesulfonate; tetrabutylazanium
Openeye Name:4-phenoxybenzenesulfonate; tetrabutylammonium
CAS Name:4-phenoxybenzenesulfonate; tetrabutylammonium
IUPAC Name:4-phenoxybenzenesulfonate; tetrabutylazanium
Traditional Name:4-phenoxybesylate; tetrabutylammonium
Formula: C28H45NO4S
MolecularWeight: 491.7262
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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)[O-]


Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)[O-]


InChI

InChI=1S/C16H36N.C12H10O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h5-16H2,1-4H3;1-9H,(H,13,14,15)/q+1;/p-1


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