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

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-methyl-4-propan-2-yloxy-benzenesulfonate Openeye Name: [4-(tetrazol-1-yl)phenyl] 4-isopropoxy-3-methyl-benzenesulfonate CAS Name: 3-methyl-4-propan-2-yloxybenzenesulfonic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 3-methyl-4-propan-2-yloxybenzenesulfonate Traditional Name: 4-isopropoxy-3-methyl-benzenesulfonic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4S/c1-12(2)24-17-9-8-16(10-13(17)3)26(22,23)25-15-6-4-14(5-7-15)21-11-18-19-20-21/h4-12H,1-3H3