2-sulfanylcarbonylphenolate; tetrabutylazanium

Systemtic Name: 2-sulfanylcarbonylphenolate; tetrabutylazanium Openeye Name: 2-sulfanylcarbonylphenolate; tetrabutylammonium CAS Name: 2-[mercapto(oxo)methyl]phenolate; tetrabutylammonium IUPAC Name: 2-sulfanylcarbonylphenolate; tetrabutylazanium Traditional Name: tetrabutylammonium; 2-thiocarboxyphenolate Formula: C23H41NO2S MolecularWeight: 395.64214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H36N.C7H6O2S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-6-4-2-1-3-5(6)7(9)10/h5-16H2,1-4H3;1-4,8H,(H,9,10)/q+1;/p-1