sodium 5,5-bis(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)cyclohexa-1,3-diene-1-sulfonate

Systemtic Name: sodium 5,5-bis(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)cyclohexa-1,3-diene-1-sulfonate Openeye Name: sodium 5,5-bis(5-thioxo-2H-tetrazol-1-yl)cyclohexa-1,3-diene-1-sulfonate CAS Name: sodium 5,5-bis(5-sulfanylidene-2H-tetrazol-1-yl)-1-cyclohexa-1,3-dienesulfonate IUPAC Name: sodium 5,5-bis(5-sulfanylidene-2H-tetrazol-1-yl)cyclohexa-1,3-diene-1-sulfonate Traditional Name: sodium 5,5-bis(5-thioxo-2H-tetrazol-1-yl)cyclohexa-1,3-diene-1-sulfonate Formula: C8H7N8NaO3S3 MolecularWeight: 382.37775

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC=CC1(N2C(=S)N=NN2)N3C(=S)N=NN3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1C(=CC=CC1(N2C(=S)N=NN2)N3C(=S)N=NN3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H8N8O3S3.Na/c17-22(18,19)5-2-1-3-8(4-5,15-6(20)9-11-13-15)16-7(21)10-12-14-16;/h1-3H,4H2,(H,9,13,20)(H,10,14,21)(H,17,18,19);/q;+1/p-1