9-(3-oxidanylidene-5,6-diphenyl-1,2,4-triazin-2-yl)nonanoic acid

Systemtic Name: 9-(3-oxidanylidene-5,6-diphenyl-1,2,4-triazin-2-yl)nonanoic acid Openeye Name: 9-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)nonanoic acid CAS Name: 9-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)nonanoic acid IUPAC Name: 9-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)nonanoic acid Traditional Name: 9-(3-keto-5,6-diphenyl-1,2,4-triazin-2-yl)pelargonic acid Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=CC=C3)CCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=CC=C3)CCCCCCCCC(=O)O

InChI

InChI=1S/C24H27N3O3/c28-21(29)17-11-3-1-2-4-12-18-27-24(30)25-22(19-13-7-5-8-14-19)23(26-27)20-15-9-6-10-16-20/h5-10,13-16H,1-4,11-12,17-18H2,(H,28,29)