(3E)-6-(1,3-benzoxazol-2-yl)-3-(3H-1,3-benzoxazol-2-ylidene)naphthalen-2-one; copper

Systemtic Name: (3E)-6-(1,3-benzoxazol-2-yl)-3-(3H-1,3-benzoxazol-2-ylidene)naphthalen-2-one; copper Openeye Name: (3E)-6-(1,3-benzoxazol-2-yl)-3-(3H-1,3-benzoxazol-2-ylidene)naphthalen-2-one; copper CAS Name: (3E)-6-(1,3-benzoxazol-2-yl)-3-(3H-1,3-benzoxazol-2-ylidene)-2-naphthalenone; copper IUPAC Name: (3E)-6-(1,3-benzoxazol-2-yl)-3-(3H-1,3-benzoxazol-2-ylidene)naphthalen-2-one; copper Traditional Name: (3E)-6-(1,3-benzoxazol-2-yl)-3-(3H-1,3-benzoxazol-2-ylidene)naphthalen-2-one; copper Formula: C48H28CuN4O6 MolecularWeight: 820.30512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=C4C=C(C=CC4=CC3=O)C5=NC6=CC=CC=C6O5)O2.C1=CC=C2C(=C1)NC(=C3C=C4C=C(C=CC4=CC3=O)C5=NC6=CC=CC=C6O5)O2.[Cu]

Isomeric SMILES

C1=CC=C2O/C(=C\3/C(=O)C=C4C(=C3)C=C(C=C4)C5=NC6=CC=CC=C6O5)/NC2=C1.C1=CC=C2O/C(=C\3/C(=O)C=C4C(=C3)C=C(C=C4)C5=NC6=CC=CC=C6O5)/NC2=C1.[Cu]

InChI

InChI=1S/2C24H14N2O3.Cu/c2*27-20-13-14-9-10-15(23-25-18-5-1-3-7-21(18)28-23)11-16(14)12-17(20)24-26-19-6-2-4-8-22(19)29-24;/h2*1-13,26H;/b2*24-17+;