2-(2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-yl)-1,3-benzoxazole; dodecanoate

Systemtic Name: 2-(2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-yl)-1,3-benzoxazole; dodecanoate Openeye Name: 2-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)-1,3-benzoxazole; dodecanoate CAS Name: 2-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)-1,3-benzoxazole; dodecanoate IUPAC Name: 2-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)-1,3-benzoxazole; dodecanoate Traditional Name: 2-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)-1,3-benzoxazole; laurate Formula: C32H39N5O3 MolecularWeight: 541.68376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CCCCCCCCCCCC(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C20H15N5O.C12H24O2/c1-3-9-15(10-4-1)24-22-19(23-25(24)16-11-5-2-6-12-16)20-21-17-13-7-8-14-18(17)26-20;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h1-14H,(H,22,23);2-11H2,1H3,(H,13,14)