aluminum 4-(phenylcarbonyl)-2,3-dihydro-1H-indene-1-carboxylate

Systemtic Name: aluminum 4-(phenylcarbonyl)-2,3-dihydro-1H-indene-1-carboxylate Openeye Name: aluminum 4-benzoylindane-1-carboxylate CAS Name: aluminum 4-benzoyl-2,3-dihydro-1H-indene-1-carboxylate IUPAC Name: aluminum 4-benzoyl-2,3-dihydro-1H-indene-1-carboxylate Traditional Name: aluminum 4-benzoylindane-1-carboxylate Formula: C51H39AlO9 MolecularWeight: 822.831498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2C1C(=O)[O-])C(=O)C3=CC=CC=C3.C1CC2=C(C=CC=C2C1C(=O)[O-])C(=O)C3=CC=CC=C3.C1CC2=C(C=CC=C2C1C(=O)[O-])C(=O)C3=CC=CC=C3.[Al+3]

Isomeric SMILES

C1CC2=C(C=CC=C2C1C(=O)[O-])C(=O)C3=CC=CC=C3.C1CC2=C(C=CC=C2C1C(=O)[O-])C(=O)C3=CC=CC=C3.C1CC2=C(C=CC=C2C1C(=O)[O-])C(=O)C3=CC=CC=C3.[Al+3]

InChI

InChI=1S/3C17H14O3.Al/c3*18-16(11-5-2-1-3-6-11)14-8-4-7-12-13(14)9-10-15(12)17(19)20;/h3*1-8,15H,9-10H2,(H,19,20);/q;;;+3/p-3