aluminum 2-(5-oxidanylidenechromeno[2,3-b]pyridin-7-yl)propanoate

Systemtic Name: aluminum 2-(5-oxidanylidenechromeno[2,3-b]pyridin-7-yl)propanoate Openeye Name: aluminum 2-(5-oxochromeno[2,3-b]pyridin-7-yl)propanoate CAS Name: aluminum 2-(5-oxo-7-[1]benzopyrano[2,3-b]pyridinyl)propanoate IUPAC Name: aluminum 2-(5-oxochromeno[2,3-b]pyridin-7-yl)propanoate Traditional Name: aluminum 2-(5-ketochromeno[2,3-b]pyridin-7-yl)propionate Formula: C45H30AlN3O12 MolecularWeight: 831.714138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC3=C(C2=O)C=CC=N3)C(=O)[O-].CC(C1=CC2=C(C=C1)OC3=C(C2=O)C=CC=N3)C(=O)[O-].CC(C1=CC2=C(C=C1)OC3=C(C2=O)C=CC=N3)C(=O)[O-].[Al+3]

Isomeric SMILES

CC(C1=CC2=C(C=C1)OC3=C(C2=O)C=CC=N3)C(=O)[O-].CC(C1=CC2=C(C=C1)OC3=C(C2=O)C=CC=N3)C(=O)[O-].CC(C1=CC2=C(C=C1)OC3=C(C2=O)C=CC=N3)C(=O)[O-].[Al+3]

InChI

InChI=1S/3C15H11NO4.Al/c3*1-8(15(18)19)9-4-5-12-11(7-9)13(17)10-3-2-6-16-14(10)20-12;/h3*2-8H,1H3,(H,18,19);/q;;;+3/p-3