disodium 6-oxidanyl-3-sulfanylidene-4,5-dihydrobenzo[g][1,2]benzodithiole-9-sulfonate

Systemtic Name: disodium 6-oxidanyl-3-sulfanylidene-4,5-dihydrobenzo[g][1,2]benzodithiole-9-sulfonate Openeye Name: disodium 6-hydroxy-3-thioxo-4,5-dihydrobenzo[g][1,2]benzodithiole-9-sulfonate CAS Name: disodium 6-hydroxy-3-sulfanylidene-4,5-dihydrobenzo[g][1,2]benzodithiole-9-sulfonate IUPAC Name: disodium 6-hydroxy-3-sulfanylidene-4,5-dihydrobenzo[g][1,2]benzodithiole-9-sulfonate Traditional Name: disodium 6-hydroxy-3-thioxo-4,5-dihydrobenzo[g][1,2]benzodithiole-9-sulfonate Formula: C22H14Na2O8S8 MolecularWeight: 708.8413

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=C(C=CC(=C31)O)S(=O)(=O)[O-])SSC2=S.C1CC2=C(C3=C(C=CC(=C31)O)S(=O)(=O)[O-])SSC2=S.[Na+].[Na+]

Isomeric SMILES

C1CC2=C(C3=C(C=CC(=C31)O)S(=O)(=O)[O-])SSC2=S.C1CC2=C(C3=C(C=CC(=C31)O)S(=O)(=O)[O-])SSC2=S.[Na+].[Na+]

InChI

InChI=1S/2C11H8O4S4.2Na/c2*12-7-3-4-8(19(13,14)15)9-5(7)1-2-6-10(9)17-18-11(6)16;;/h2*3-4,12H,1-2H2,(H,13,14,15);;/q;;2*+1/p-2