2-(1,3-benzodithiol-2-ylidene)-5-carboxy-1,3-dithiole-4-carboxylate; tetrabutylazanium

Systemtic Name: 2-(1,3-benzodithiol-2-ylidene)-5-carboxy-1,3-dithiole-4-carboxylate; tetrabutylazanium Openeye Name: 2-(1,3-benzodithiol-2-ylidene)-5-carboxy-1,3-dithiole-4-carboxylate; tetrabutylammonium CAS Name: 2-(1,3-benzodithiol-2-ylidene)-5-carboxy-1,3-dithiole-4-carboxylate; tetrabutylammonium IUPAC Name: 2-(1,3-benzodithiol-2-ylidene)-5-carboxy-1,3-dithiole-4-carboxylate; tetrabutylazanium Traditional Name: 2-(1,3-benzodithiol-2-ylidene)-5-carboxy-1,3-dithiole-4-carboxylate; tetrabutylammonium Formula: C28H41NO4S4 MolecularWeight: 583.88944

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C2C(=C1)SC(=C3SC(=C(S3)C(=O)[O-])C(=O)O)S2

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C2C(=C1)SC(=C3SC(=C(S3)C(=O)[O-])C(=O)O)S2

InChI

InChI=1S/C16H36N.C12H6O4S4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;13-9(14)7-8(10(15)16)20-12(19-7)11-17-5-3-1-2-4-6(5)18-11/h5-16H2,1-4H3;1-4H,(H,13,14)(H,15,16)/q+1;/p-1