4-methyl-2-(phenylmethyl)-6-(1,2,3,4-tetrazol-1-yl)benzenesulfonate

Systemtic Name: 4-methyl-2-(phenylmethyl)-6-(1,2,3,4-tetrazol-1-yl)benzenesulfonate Openeye Name: 2-benzyl-4-methyl-6-(tetrazol-1-yl)benzenesulfonate CAS Name: 4-methyl-2-(phenylmethyl)-6-(1-tetrazolyl)benzenesulfonate IUPAC Name: 2-benzyl-4-methyl-6-(tetrazol-1-yl)benzenesulfonate Traditional Name: 2-benzyl-4-methyl-6-(tetrazol-1-yl)besylate Formula: C15H13N4O3S- MolecularWeight: 329.35372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2C=NN=N2)S(=O)(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C(=C1)N2C=NN=N2)S(=O)(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C15H14N4O3S/c1-11-7-13(9-12-5-3-2-4-6-12)15(23(20,21)22)14(8-11)19-10-16-17-18-19/h2-8,10H,9H2,1H3,(H,20,21,22)/p-1