aluminum (E)-oxidanyl-[5-oxidanyl-3,4-bis(oxidanylidene)-1H-quinolin-2-ylidene]methanolate

Systemtic Name: aluminum (E)-oxidanyl-[5-oxidanyl-3,4-bis(oxidanylidene)-1H-quinolin-2-ylidene]methanolate Openeye Name: aluminum (E)-hydroxy-(5-hydroxy-3,4-dioxo-1H-quinolin-2-ylidene)methanolate CAS Name: aluminum (E)-hydroxy-(5-hydroxy-3,4-dioxo-1H-quinolin-2-ylidene)methanolate IUPAC Name: aluminum (E)-hydroxy-(5-hydroxy-3,4-dioxo-1H-quinolin-2-ylidene)methanolate Traditional Name: aluminum (E)-hydroxy-(5-hydroxy-3,4-diketo-1H-quinolin-2-ylidene)methanolate Formula: C30H18AlN3O15 MolecularWeight: 687.456558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)C(=O)C(=O)C(=C(O)[O-])N2.C1=CC2=C(C(=C1)O)C(=O)C(=O)C(=C(O)[O-])N2.C1=CC2=C(C(=C1)O)C(=O)C(=O)C(=C(O)[O-])N2.[Al+3]

Isomeric SMILES

C1=CC2=C(C(=O)C(=O)/C(=C(/[O-])\O)/N2)C(=C1)O.C1=CC2=C(C(=O)C(=O)/C(=C(/[O-])\O)/N2)C(=C1)O.C1=CC2=C(C(=O)C(=O)/C(=C(/[O-])\O)/N2)C(=C1)O.[Al+3]

InChI

InChI=1S/3C10H7NO5.Al/c3*12-5-3-1-2-4-6(5)8(13)9(14)7(11-4)10(15)16;/h3*1-3,11-12,15-16H;/q;;;+3/p-3