4-methyl-1-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]cyclohexa-2,4-diene-1-sulfonate

Systemtic Name: 4-methyl-1-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]cyclohexa-2,4-diene-1-sulfonate Openeye Name: 4-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]cyclohexa-2,4-diene-1-sulfonate CAS Name: 4-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-1-cyclohexa-2,4-dienesulfonate IUPAC Name: 4-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]cyclohexa-2,4-diene-1-sulfonate Traditional Name: 4-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]cyclohexa-2,4-diene-1-sulfonate Formula: C10H13N4O3S- MolecularWeight: 269.30022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C=C1)(CCC2=NNN=N2)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CCC(C=C1)(CCC2=NNN=N2)S(=O)(=O)[O-]

InChI

InChI=1S/C10H14N4O3S/c1-8-2-5-10(6-3-8,18(15,16)17)7-4-9-11-13-14-12-9/h2-3,5H,4,6-7H2,1H3,(H,15,16,17)(H,11,12,13,14)/p-1