1-[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]hexadecane-1,3-dione

Systemtic Name: 1-[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]hexadecane-1,3-dione Openeye Name: 1-[3-(2H-tetrazol-5-yl)phenyl]hexadecane-1,3-dione CAS Name: 1-[3-(2H-tetrazol-5-yl)phenyl]hexadecane-1,3-dione IUPAC Name: 1-[3-(2H-tetrazol-5-yl)phenyl]hexadecane-1,3-dione Traditional Name: 1-[3-(2H-tetrazol-5-yl)phenyl]hexadecane-1,3-dione Formula: C23H34N4O2 MolecularWeight: 398.54166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC(=C1)C2=NNN=N2

Isomeric SMILES

CCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC(=C1)C2=NNN=N2

InChI

InChI=1S/C23H34N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-21(28)18-22(29)19-14-13-15-20(17-19)23-24-26-27-25-23/h13-15,17H,2-12,16,18H2,1H3,(H,24,25,26,27)