4-[5-(4-propylphenoxy)-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: 4-[5-(4-propylphenoxy)-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: 4-[5-(4-propylphenoxy)tetrazol-1-yl]benzoate CAS Name: 4-[5-(4-propylphenoxy)-1-tetrazolyl]benzoate IUPAC Name: 4-[5-(4-propylphenoxy)tetrazol-1-yl]benzoate Traditional Name: 4-[5-(4-propylphenoxy)tetrazol-1-yl]benzoate Formula: C17H15N4O3- MolecularWeight: 323.326

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC2=NN=NN2C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)OC2=NN=NN2C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H16N4O3/c1-2-3-12-4-10-15(11-5-12)24-17-18-19-20-21(17)14-8-6-13(7-9-14)16(22)23/h4-11H,2-3H2,1H3,(H,22,23)/p-1