aluminum; 3aH-pyren-1-one; 2-(1,3-benzoxazol-2-yl)cyclohexa-2,4-dien-1-one

Systemtic Name: aluminum; 3aH-pyren-1-one; 2-(1,3-benzoxazol-2-yl)cyclohexa-2,4-dien-1-one Openeye Name: aluminum; 3aH-pyren-1-one; 2-(1,3-benzoxazol-2-yl)cyclohexa-2,4-dien-1-one CAS Name: aluminum; 3aH-pyren-1-one; 2-(1,3-benzoxazol-2-yl)-1-cyclohexa-2,4-dienone IUPAC Name: aluminum; 3aH-pyren-1-one; 2-(1,3-benzoxazol-2-yl)cyclohexa-2,4-dien-1-one Traditional Name: aluminum; 3aH-pyren-1-one; 2-(1,3-benzoxazol-2-yl)cyclohexa-2,4-dien-1-one Formula: C42H28AlN2O5+3 MolecularWeight: 667.663658

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C(C1=O)C2=NC3=CC=CC=C3O2.C1C=CC=C(C1=O)C2=NC3=CC=CC=C3O2.C1=CC2=C3C(=C1)C=CC4C3=C(C=C2)C(=O)C=C4.[Al+3]

Isomeric SMILES

C1C=CC=C(C1=O)C2=NC3=CC=CC=C3O2.C1C=CC=C(C1=O)C2=NC3=CC=CC=C3O2.C1=CC2=C3C(=C1)C=CC4C3=C(C=C2)C(=O)C=C4.[Al+3]

InChI

InChI=1S/C16H10O.2C13H9NO2.Al/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h1-9,12H;2*1-6,8H,7H2;/q;;;+3