4-methyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]benzenesulfonic acid

Systemtic Name: 4-methyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]benzenesulfonic acid Openeye Name: 4-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonic acid CAS Name: 4-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonic acid IUPAC Name: 4-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonic acid Traditional Name: 4-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]besylic acid Formula: C10H12N4O3S MolecularWeight: 268.29228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CCC2=NNN=N2

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CCC2=NNN=N2

InChI

InChI=1S/C10H12N4O3S/c1-7-2-4-9(18(15,16)17)8(6-7)3-5-10-11-13-14-12-10/h2,4,6H,3,5H2,1H3,(H,15,16,17)(H,11,12,13,14)