(6E)-6-(3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one; zinc

Systemtic Name: (6E)-6-(3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one; zinc Openeye Name: (6E)-6-(3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one; zinc CAS Name: (6E)-6-(3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-2,4-dienone; zinc IUPAC Name: (6E)-6-(3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one; zinc Traditional Name: (6E)-6-(3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-dien-1-one; zinc Formula: C52H36N4O8Zn2 MolecularWeight: 975.68224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=CC=CC3=O)O2.C1=CC=C2C(=C1)NC(=C3C=CC=CC3=O)O2.C1=CC=C2C(=C1)NC(=C3C=CC=CC3=O)O2.C1=CC=C2C(=C1)NC(=C3C=CC=CC3=O)O2.[Zn].[Zn]

Isomeric SMILES

C1=CC=C2O/C(=C\3/C(=O)C=CC=C3)/NC2=C1.C1=CC=C2O/C(=C\3/C(=O)C=CC=C3)/NC2=C1.C1=CC=C2O/C(=C\3/C(=O)C=CC=C3)/NC2=C1.C1=CC=C2O/C(=C\3/C(=O)C=CC=C3)/NC2=C1.[Zn].[Zn]

InChI

InChI=1S/4C13H9NO2.2Zn/c4*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;;/h4*1-8,14H;;/b4*13-9+;;