[4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-chloranyl-2-methyl-benzenesulfonate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-chloranyl-2-methyl-benzenesulfonate Openeye Name: [4-(tetrazol-1-yl)phenyl] 4-chloro-2-methyl-benzenesulfonate CAS Name: 4-chloro-2-methylbenzenesulfonic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 4-chloro-2-methylbenzenesulfonate Traditional Name: 4-chloro-2-methyl-benzenesulfonic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C14H11ClN4O3S MolecularWeight: 350.78014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)S(=O)(=O)OC2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)S(=O)(=O)OC2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C14H11ClN4O3S/c1-10-8-11(15)2-7-14(10)23(20,21)22-13-5-3-12(4-6-13)19-9-16-17-18-19/h2-9H,1H3