aluminum 4-(2-azanylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate

Systemtic Name: aluminum 4-(2-azanylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate Openeye Name: aluminum 4-(2-aminoethyl)tetralin-1-carboxylate CAS Name: aluminum 4-(2-aminoethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate IUPAC Name: aluminum 4-(2-aminoethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate Traditional Name: aluminum 4-(2-aminoethyl)tetralin-1-carboxylate Formula: C39H48AlN3O6 MolecularWeight: 681.796458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1CCN)C(=O)[O-].C1CC(C2=CC=CC=C2C1CCN)C(=O)[O-].C1CC(C2=CC=CC=C2C1CCN)C(=O)[O-].[Al+3]

Isomeric SMILES

C1CC(C2=CC=CC=C2C1CCN)C(=O)[O-].C1CC(C2=CC=CC=C2C1CCN)C(=O)[O-].C1CC(C2=CC=CC=C2C1CCN)C(=O)[O-].[Al+3]

InChI

InChI=1S/3C13H17NO2.Al/c3*14-8-7-9-5-6-12(13(15)16)11-4-2-1-3-10(9)11;/h3*1-4,9,12H,5-8,14H2,(H,15,16);/q;;;+3/p-3