2-methyl-7-(2,4,5-triphenyl-1,2,3-triazol-2-ium-2-yl)heptanoic acid

Systemtic Name: 2-methyl-7-(2,4,5-triphenyl-1,2,3-triazol-2-ium-2-yl)heptanoic acid Openeye Name: 2-methyl-7-(2,4,5-triphenyltriazol-2-ium-2-yl)heptanoic acid CAS Name: 2-methyl-7-(2,4,5-triphenyl-2-triazol-2-iumyl)heptanoic acid IUPAC Name: 2-methyl-7-(2,4,5-triphenyltriazol-2-ium-2-yl)heptanoic acid Traditional Name: 2-methyl-7-(2,4,5-triphenyltriazol-2-ium-2-yl)enanthic acid Formula: C28H30N3O2+ MolecularWeight: 440.5567

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC[N+]1(N=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(CCCCC[N+]1(N=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H29N3O2/c1-22(28(32)33)14-6-5-13-21-31(25-19-11-4-12-20-25)29-26(23-15-7-2-8-16-23)27(30-31)24-17-9-3-10-18-24/h2-4,7-12,15-20,22H,5-6,13-14,21H2,1H3/p+1