(E)-2-(5-chloranylthiophen-2-yl)ethenesulfonate; tetrabutylazanium

Systemtic Name: (E)-2-(5-chloranylthiophen-2-yl)ethenesulfonate; tetrabutylazanium Openeye Name: (E)-2-(5-chloro-2-thienyl)ethenesulfonate; tetrabutylammonium CAS Name: (E)-2-(5-chloro-2-thiophenyl)ethenesulfonate; tetrabutylammonium IUPAC Name: (E)-2-(5-chlorothiophen-2-yl)ethenesulfonate; tetrabutylazanium Traditional Name: (E)-2-(5-chloro-2-thienyl)ethenesulfonate; tetrabutylammonium Formula: C22H40ClNO3S2 MolecularWeight: 466.1409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1=C(SC(=C1)Cl)/C=C/S(=O)(=O)[O-]

InChI

InChI=1S/C16H36N.C6H5ClO3S2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;7-6-2-1-5(11-6)3-4-12(8,9)10/h5-16H2,1-4H3;1-4H,(H,8,9,10)/q+1;/p-1/b;4-3+