[3-(1,2,3,4-tetrazol-1-yl)phenyl] 2-bromanyl-4,5-dimethoxy-benzenesulfonate

Systemtic Name: [3-(1,2,3,4-tetrazol-1-yl)phenyl] 2-bromanyl-4,5-dimethoxy-benzenesulfonate Openeye Name: [3-(tetrazol-1-yl)phenyl] 2-bromo-4,5-dimethoxy-benzenesulfonate CAS Name: 2-bromo-4,5-dimethoxybenzenesulfonic acid [3-(1-tetrazolyl)phenyl] ester IUPAC Name: [3-(tetrazol-1-yl)phenyl] 2-bromo-4,5-dimethoxybenzenesulfonate Traditional Name: 2-bromo-4,5-dimethoxy-benzenesulfonic acid [3-(tetrazol-1-yl)phenyl] ester Formula: C15H13BrN4O5S MolecularWeight: 441.25652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3

Isomeric SMILES

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3

InChI

InChI=1S/C15H13BrN4O5S/c1-23-13-7-12(16)15(8-14(13)24-2)26(21,22)25-11-5-3-4-10(6-11)20-9-17-18-19-20/h3-9H,1-2H3