aluminum 2-[4-(3-oxidanylidene-4,7-dihydro-1H-isoindol-2-yl)phenyl]propanoate

Systemtic Name: aluminum 2-[4-(3-oxidanylidene-4,7-dihydro-1H-isoindol-2-yl)phenyl]propanoate Openeye Name: aluminum 2-[4-(3-oxo-4,7-dihydro-1H-isoindol-2-yl)phenyl]propanoate CAS Name: aluminum 2-[4-(3-oxo-4,7-dihydro-1H-isoindol-2-yl)phenyl]propanoate IUPAC Name: aluminum 2-[4-(3-oxo-4,7-dihydro-1H-isoindol-2-yl)phenyl]propanoate Traditional Name: aluminum 2-[4-(3-keto-4,7-dihydro-1H-isoindol-2-yl)phenyl]propionate Formula: C51H48AlN3O9 MolecularWeight: 873.923058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CC3=C(C2=O)CC=CC3)C(=O)[O-].CC(C1=CC=C(C=C1)N2CC3=C(C2=O)CC=CC3)C(=O)[O-].CC(C1=CC=C(C=C1)N2CC3=C(C2=O)CC=CC3)C(=O)[O-].[Al+3]

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CC3=C(C2=O)CC=CC3)C(=O)[O-].CC(C1=CC=C(C=C1)N2CC3=C(C2=O)CC=CC3)C(=O)[O-].CC(C1=CC=C(C=C1)N2CC3=C(C2=O)CC=CC3)C(=O)[O-].[Al+3]

InChI

InChI=1S/3C17H17NO3.Al/c3*1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19;/h3*2-3,6-9,11H,4-5,10H2,1H3,(H,20,21);/q;;;+3/p-3