[4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-chloranylbenzenesulfonate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-chloranylbenzenesulfonate Openeye Name: [4-(tetrazol-1-yl)phenyl] 3-chlorobenzenesulfonate CAS Name: 3-chlorobenzenesulfonic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 3-chlorobenzenesulfonate Traditional Name: 3-chlorobenzenesulfonic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C13H9ClN4O3S MolecularWeight: 336.75356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)S(=O)(=O)OC2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)S(=O)(=O)OC2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C13H9ClN4O3S/c14-10-2-1-3-13(8-10)22(19,20)21-12-6-4-11(5-7-12)18-9-15-16-17-18/h1-9H