(E)-4-oxidanylidene-8-(3,4,5-trimethoxyphenyl)oct-5-enoic acid; 1H-pyridazin-6-one

Systemtic Name: (E)-4-oxidanylidene-8-(3,4,5-trimethoxyphenyl)oct-5-enoic acid; 1H-pyridazin-6-one Openeye Name: (E)-4-oxo-8-(3,4,5-trimethoxyphenyl)oct-5-enoic acid; 1H-pyridazin-6-one CAS Name: (E)-4-oxo-8-(3,4,5-trimethoxyphenyl)-5-octenoic acid; 1H-pyridazin-6-one IUPAC Name: (E)-4-oxo-8-(3,4,5-trimethoxyphenyl)oct-5-enoic acid; 1H-pyridazin-6-one Traditional Name: (E)-4-keto-8-(3,4,5-trimethoxyphenyl)oct-5-enoic acid; 1H-pyridazin-6-one Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC=CC(=O)CCC(=O)O.C1=CC(=O)NN=C1

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC/C=C/C(=O)CCC(=O)O.C1=CC(=O)NN=C1

InChI

InChI=1S/C17H22O6.C4H4N2O/c1-21-14-10-12(11-15(22-2)17(14)23-3)6-4-5-7-13(18)8-9-16(19)20;7-4-2-1-3-5-6-4/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,19,20);1-3H,(H,6,7)/b7-5+;