benzoic acid; copper; (Z)-1-phenyl-3-pyridin-4-yl-prop-2-en-1-one

Systemtic Name: benzoic acid; copper; (Z)-1-phenyl-3-pyridin-4-yl-prop-2-en-1-one Openeye Name: benzoic acid; copper; (Z)-1-phenyl-3-(4-pyridyl)prop-2-en-1-one CAS Name: benzoic acid; copper; (Z)-1-phenyl-3-pyridin-4-yl-2-propen-1-one IUPAC Name: benzoic acid; copper; (Z)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one Traditional Name: benzoic acid; copper; (Z)-1-phenyl-3-(4-pyridyl)prop-2-en-1-one Formula: C42H34CuN2O6 MolecularWeight: 726.27516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C=CC2=CC=NC=C2.C1=CC=C(C=C1)C(=O)C=CC2=CC=NC=C2.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.[Cu]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C=C\C2=CC=NC=C2.C1=CC=C(C=C1)C(=O)/C=C\C2=CC=NC=C2.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.[Cu]

InChI

InChI=1S/2C14H11NO.2C7H6O2.Cu/c2*16-14(13-4-2-1-3-5-13)7-6-12-8-10-15-11-9-12;2*8-7(9)6-4-2-1-3-5-6;/h2*1-11H;2*1-5H,(H,8,9);/b2*7-6-;;;