ethyl 2,3-bis(3-nitrophenyl)-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-carboxylate; octadecanoate

Systemtic Name: ethyl 2,3-bis(3-nitrophenyl)-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-carboxylate; octadecanoate Openeye Name: ethyl 2,3-bis(3-nitrophenyl)-1,3-dihydrotetrazol-3-ium-5-carboxylate; octadecanoate CAS Name: 2,3-bis(3-nitrophenyl)-1,3-dihydrotetrazol-3-ium-5-carboxylic acid ethyl ester; octadecanoate IUPAC Name: ethyl 2,3-bis(3-nitrophenyl)-1,3-dihydrotetrazol-3-ium-5-carboxylate; octadecanoate Traditional Name: 2,3-bis(3-nitrophenyl)-1,3-dihydrotetrazol-3-ium-5-carboxylic acid ethyl ester; stearate Formula: C34H50N6O8 MolecularWeight: 670.7962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCOC(=O)C1=N[NH+](N(N1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCOC(=O)C1=N[NH+](N(N1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H36O2.C16H14N6O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-28-16(23)15-17-19(11-5-3-7-13(9-11)21(24)25)20(18-15)12-6-4-8-14(10-12)22(26)27/h2-17H2,1H3,(H,19,20);3-10H,2H2,1H3,(H,17,18)