4-(5-methyl-3-phenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-2-yl)phenol; octadecanoate

Systemtic Name: 4-(5-methyl-3-phenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-2-yl)phenol; octadecanoate Openeye Name: 4-(5-methyl-3-phenyl-1,3-dihydrotetrazol-3-ium-2-yl)phenol; octadecanoate CAS Name: 4-(5-methyl-3-phenyl-1,3-dihydrotetrazol-3-ium-2-yl)phenol; octadecanoate IUPAC Name: 4-(5-methyl-3-phenyl-1,3-dihydrotetrazol-3-ium-2-yl)phenol; octadecanoate Traditional Name: 4-(5-methyl-3-phenyl-1,3-dihydrotetrazol-3-ium-2-yl)phenol; stearate Formula: C32H50N4O3 MolecularWeight: 538.7644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CC1=N[NH+](N(N1)C2=CC=C(C=C2)O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CC1=N[NH+](N(N1)C2=CC=C(C=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C18H36O2.C14H14N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-11-15-17(12-5-3-2-4-6-12)18(16-11)13-7-9-14(19)10-8-13/h2-17H2,1H3,(H,19,20);2-10,19H,1H3,(H,15,16)