8-(6-oxidanylidene-3,4,5-triphenyl-pyridazin-1-yl)octanoic acid

Systemtic Name: 8-(6-oxidanylidene-3,4,5-triphenyl-pyridazin-1-yl)octanoic acid Openeye Name: 8-(6-oxo-3,4,5-triphenyl-pyridazin-1-yl)octanoic acid CAS Name: 8-(6-oxo-3,4,5-triphenyl-1-pyridazinyl)octanoic acid IUPAC Name: 8-(6-oxo-3,4,5-triphenylpyridazin-1-yl)octanoic acid Traditional Name: 8-(6-keto-3,4,5-triphenyl-pyridazin-1-yl)caprylic acid Formula: C30H30N2O3 MolecularWeight: 466.5708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N(N=C2C3=CC=CC=C3)CCCCCCCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N(N=C2C3=CC=CC=C3)CCCCCCCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C30H30N2O3/c33-26(34)21-13-2-1-3-14-22-32-30(35)28(24-17-9-5-10-18-24)27(23-15-7-4-8-16-23)29(31-32)25-19-11-6-12-20-25/h4-12,15-20H,1-3,13-14,21-22H2,(H,33,34)