sodium 3-[5-(4-methylphenyl)sulfonylsulfanyl-1,2,3,4-tetrazol-1-yl]benzenesulfonate

Systemtic Name: sodium 3-[5-(4-methylphenyl)sulfonylsulfanyl-1,2,3,4-tetrazol-1-yl]benzenesulfonate Openeye Name: sodium 3-[5-(p-tolylsulfonylsulfanyl)tetrazol-1-yl]benzenesulfonate CAS Name: sodium 3-[5-[(4-methylphenyl)sulfonylthio]-1-tetrazolyl]benzenesulfonate IUPAC Name: sodium 3-[5-(4-methylphenyl)sulfonylsulfanyltetrazol-1-yl]benzenesulfonate Traditional Name: sodium 3-[5-(tosylthio)tetrazol-1-yl]besylate Formula: C14H11N4NaO5S3 MolecularWeight: 434.44571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC2=NN=NN2C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2=NN=NN2C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H12N4O5S3.Na/c1-10-5-7-12(8-6-10)26(22,23)24-14-15-16-17-18(14)11-3-2-4-13(9-11)25(19,20)21;/h2-9H,1H3,(H,19,20,21);/q;+1/p-1