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

Systemtic Name: sodium 7-propoxy-3-sulfanylidene-4,5-dihydrobenzo[g][1,2]benzodithiole-8-sulfonate Openeye Name: sodium 7-propoxy-3-thioxo-4,5-dihydrobenzo[g][1,2]benzodithiole-8-sulfonate CAS Name: sodium 7-propoxy-3-sulfanylidene-4,5-dihydrobenzo[g][1,2]benzodithiole-8-sulfonate IUPAC Name: sodium 7-propoxy-3-sulfanylidene-4,5-dihydrobenzo[g][1,2]benzodithiole-8-sulfonate Traditional Name: sodium 7-propoxy-3-thioxo-4,5-dihydrobenzo[g][1,2]benzodithiole-8-sulfonate Formula: C14H13NaO4S4 MolecularWeight: 396.50039

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=C1)CCC3=C2SSC3=S)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCOC1=C(C=C2C(=C1)CCC3=C2SSC3=S)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H14O4S4.Na/c1-2-5-18-11-6-8-3-4-9-13(20-21-14(9)19)10(8)7-12(11)22(15,16)17;/h6-7H,2-5H2,1H3,(H,15,16,17);/q;+1/p-1