sodium 7-ethoxy-3-sulfanylidene-4,5-dihydrobenzo[g][1,2]benzodithiole-8-sulfonate

Systemtic Name: sodium 7-ethoxy-3-sulfanylidene-4,5-dihydrobenzo[g][1,2]benzodithiole-8-sulfonate Openeye Name: sodium 7-ethoxy-3-thioxo-4,5-dihydrobenzo[g][1,2]benzodithiole-8-sulfonate CAS Name: sodium 7-ethoxy-3-sulfanylidene-4,5-dihydrobenzo[g][1,2]benzodithiole-8-sulfonate IUPAC Name: sodium 7-ethoxy-3-sulfanylidene-4,5-dihydrobenzo[g][1,2]benzodithiole-8-sulfonate Traditional Name: sodium 7-ethoxy-3-thioxo-4,5-dihydrobenzo[g][1,2]benzodithiole-8-sulfonate Formula: C13H11NaO4S4 MolecularWeight: 382.47381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CCC3=C2SSC3=S)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CCC3=C2SSC3=S)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H12O4S4.Na/c1-2-17-10-5-7-3-4-8-12(19-20-13(8)18)9(7)6-11(10)21(14,15)16;/h5-6H,2-4H2,1H3,(H,14,15,16);/q;+1/p-1