8-(3-oxidanylidene-5,6-diphenyl-1,2,4-triazin-2-yl)octanoic acid

Systemtic Name: 8-(3-oxidanylidene-5,6-diphenyl-1,2,4-triazin-2-yl)octanoic acid Openeye Name: 8-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)octanoic acid CAS Name: 8-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)octanoic acid IUPAC Name: 8-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)octanoic acid Traditional Name: 8-(3-keto-5,6-diphenyl-1,2,4-triazin-2-yl)caprylic acid Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3/c27-20(28)16-10-2-1-3-11-17-26-23(29)24-21(18-12-6-4-7-13-18)22(25-26)19-14-8-5-9-15-19/h4-9,12-15H,1-3,10-11,16-17H2,(H,27,28)