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

Systemtic Name: [3-(1,2,3,4-tetrazol-1-yl)phenyl] 4-tert-butylbenzoate Openeye Name: [3-(tetrazol-1-yl)phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-(1-tetrazolyl)phenyl] ester IUPAC Name: [3-(tetrazol-1-yl)phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-(tetrazol-1-yl)phenyl] ester Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2/c1-18(2,3)14-9-7-13(8-10-14)17(23)24-16-6-4-5-15(11-16)22-12-19-20-21-22/h4-12H,1-3H3