7-methyl-8-oxidanylidene-4-sulfanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; tetrabutylazanium

Systemtic Name: 7-methyl-8-oxidanylidene-4-sulfanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; tetrabutylazanium Openeye Name: 7-methyl-8-oxo-4-thioxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; tetrabutylammonium CAS Name: 7-methyl-8-oxo-4-sulfanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; tetrabutylammonium IUPAC Name: 7-methyl-8-oxo-4-sulfanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; tetrabutylazanium Traditional Name: 8-keto-7-methyl-4-thioxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; tetrabutylammonium Formula: C24H43N2O3S2+ MolecularWeight: 471.73982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CC1C2N(C1=O)C(=CC(=S)S2)C(=O)O

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CC1C2N(C1=O)C(=CC(=S)S2)C(=O)O

InChI

InChI=1S/C16H36N.C8H7NO3S2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-6(10)9-4(8(11)12)2-5(13)14-7(3)9/h5-16H2,1-4H3;2-3,7H,1H3,(H,11,12)/q+1;