2,3-diphenyl-5-thiophen-2-yl-1,3-dihydro-1,2,3,4-tetrazol-3-ium; octadecanoate

Systemtic Name: 2,3-diphenyl-5-thiophen-2-yl-1,3-dihydro-1,2,3,4-tetrazol-3-ium; octadecanoate Openeye Name: 2,3-diphenyl-5-(2-thienyl)-1,3-dihydrotetrazol-3-ium; octadecanoate CAS Name: 2,3-diphenyl-5-thiophen-2-yl-1,3-dihydrotetrazol-3-ium; octadecanoate IUPAC Name: 2,3-diphenyl-5-thiophen-2-yl-1,3-dihydrotetrazol-3-ium; octadecanoate Traditional Name: 2,3-diphenyl-5-(2-thienyl)-1,3-dihydrotetrazol-3-ium; stearate Formula: C35H50N4O2S MolecularWeight: 590.8621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C18H36O2.C17H14N4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-8-14(9-4-1)20-18-17(16-12-7-13-22-16)19-21(20)15-10-5-2-6-11-15/h2-17H2,1H3,(H,19,20);1-13H,(H,18,19)