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

Systemtic Name: dodecanoate; 2-(4-iodophenyl)-3,5-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium Openeye Name: dodecanoate; 2-(4-iodophenyl)-3,5-diphenyl-1,3-dihydrotetrazol-3-ium CAS Name: dodecanoate; 2-(4-iodophenyl)-3,5-diphenyl-1,3-dihydrotetrazol-3-ium IUPAC Name: dodecanoate; 2-(4-iodophenyl)-3,5-diphenyl-1,3-dihydrotetrazol-3-ium Traditional Name: 2-(4-iodophenyl)-3,5-diphenyl-1,3-dihydrotetrazol-3-ium; laurate Formula: C31H39IN4O2 MolecularWeight: 626.57143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)[O-].C1=CC=C(C=C1)C2=N[NH+](N(N2)C3=CC=C(C=C3)I)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCC(=O)[O-].C1=CC=C(C=C1)C2=N[NH+](N(N2)C3=CC=C(C=C3)I)C4=CC=CC=C4

InChI

InChI=1S/C19H15IN4.C12H24O2/c20-16-11-13-18(14-12-16)24-22-19(15-7-3-1-4-8-15)21-23(24)17-9-5-2-6-10-17;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h1-14H,(H,21,22);2-11H2,1H3,(H,13,14)