4-[3-[6-oxidanylidene-5-(3-phenylprop-1-ynyl)pyridazin-1-yl]prop-2-ynyl]benzoic acid

Systemtic Name: 4-[3-[6-oxidanylidene-5-(3-phenylprop-1-ynyl)pyridazin-1-yl]prop-2-ynyl]benzoic acid Openeye Name: 4-[3-[6-oxo-5-(3-phenylprop-1-ynyl)pyridazin-1-yl]prop-2-ynyl]benzoic acid CAS Name: 4-[3-[6-oxo-5-(3-phenylprop-1-ynyl)-1-pyridazinyl]prop-2-ynyl]benzoic acid IUPAC Name: 4-[3-[6-oxo-5-(3-phenylprop-1-ynyl)pyridazin-1-yl]prop-2-ynyl]benzoic acid Traditional Name: 4-[3-[6-keto-5-(3-phenylprop-1-ynyl)pyridazin-1-yl]prop-2-ynyl]benzoic acid Formula: C23H16N2O3 MolecularWeight: 368.38474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=CC=NN(C2=O)C#CCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=CC=NN(C2=O)C#CCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H16N2O3/c26-22-20(10-4-8-18-6-2-1-3-7-18)15-16-24-25(22)17-5-9-19-11-13-21(14-12-19)23(27)28/h1-3,6-7,11-16H,8-9H2,(H,27,28)