disodium [2-sulfanylidene-6-(sulfonatooxymethyl)-5,7-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiepin-6-yl]methyl sulfate

Systemtic Name: disodium [2-sulfanylidene-6-(sulfonatooxymethyl)-5,7-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiepin-6-yl]methyl sulfate Openeye Name: disodium [6-(sulfonatooxymethyl)-2-thioxo-5,7-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiepin-6-yl]methyl sulfate CAS Name: disodium [2-sulfanylidene-6-(sulfonatooxymethyl)-5,7-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiepin-6-yl]methyl sulfate IUPAC Name: disodium [2-sulfanylidene-6-(sulfonatooxymethyl)-5,7-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiepin-6-yl]methyl sulfate Traditional Name: disodium [6-(sulfatomethyl)-2-thioxo-5,7-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiepin-6-yl]methyl sulfate Formula: C8H8Na2O8S7 MolecularWeight: 502.57886

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CSC2=C(S1)SC(=S)S2)(COS(=O)(=O)[O-])COS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1C(CSC2=C(S1)SC(=S)S2)(COS(=O)(=O)[O-])COS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C8H10O8S7.2Na/c9-22(10,11)15-1-8(2-16-23(12,13)14)3-18-5-6(19-4-8)21-7(17)20-5;;/h1-4H2,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2