aluminum; ethanolate; [(E)-2-ethoxycarbonyl-3-oxidanylidene-but-1-enyl]-[2-[(E)-2-ethoxycarbonyl-3-oxidanylidene-but-1-enyl]azanidylphenyl]azanide

Systemtic Name: aluminum; ethanolate; [(E)-2-ethoxycarbonyl-3-oxidanylidene-but-1-enyl]-[2-[(E)-2-ethoxycarbonyl-3-oxidanylidene-but-1-enyl]azanidylphenyl]azanide Openeye Name: aluminum; ethanolate; [(E)-2-ethoxycarbonyl-3-oxo-but-1-enyl]-[2-[(E)-2-ethoxycarbonyl-3-oxo-but-1-enyl]azanidylphenyl]azanide CAS Name: aluminum; ethanolate; [(E)-2-ethoxycarbonyl-3-oxobut-1-enyl]-[2-[(E)-2-ethoxycarbonyl-3-oxobut-1-enyl]azanidylphenyl]azanide IUPAC Name: aluminum; ethanolate; [(E)-2-ethoxycarbonyl-3-oxobut-1-enyl]-[2-[(E)-2-ethoxycarbonyl-3-oxobut-1-enyl]azanidylphenyl]azanide Traditional Name: aluminum; [(E)-2-carbethoxy-3-keto-but-1-enyl]-[2-[(E)-2-carbethoxy-3-keto-but-1-enyl]azanidylphenyl]azanide; ethanolate Formula: C22H27AlN2O7 MolecularWeight: 458.440518

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Descriptors Computed from Structure

Canonical SMILES:

CC[O-].CCOC(=O)C(=C[N-]C1=CC=CC=C1[N-]C=C(C(=O)C)C(=O)OCC)C(=O)C.[Al+3]

Isomeric SMILES

CC[O-].CCOC(=O)/C(=C/[N-]C1=CC=CC=C1[N-]/C=C(/C(=O)OCC)\C(=O)C)/C(=O)C.[Al+3]

InChI

InChI=1S/C20H24N2O6.C2H5O.Al/c1-5-27-19(25)15(13(3)23)11-21-17-9-7-8-10-18(17)22-12-16(14(4)24)20(26)28-6-2;1-2-3;/h7-12H,5-6H2,1-4H3,(H2,21,22,23,24,25,26);2H2,1H3;/q;-1;+3/p-2