zinc (3Z)-3-(1,3-benzoxazol-2-ylmethylidene)isoindol-1-olate

Systemtic Name: zinc (3Z)-3-(1,3-benzoxazol-2-ylmethylidene)isoindol-1-olate Openeye Name: zinc (3Z)-3-(1,3-benzoxazol-2-ylmethylene)isoindol-1-olate CAS Name: zinc (3Z)-3-(1,3-benzoxazol-2-ylmethylidene)-1-isoindololate IUPAC Name: zinc (3Z)-3-(1,3-benzoxazol-2-ylmethylidene)isoindol-1-olate Traditional Name: zinc (3Z)-3-(1,3-benzoxazol-2-ylmethylene)isoindol-1-olate Formula: C32H18N4O4Zn MolecularWeight: 587.91872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=NC4=CC=CC=C4O3)N=C2[O-].C1=CC=C2C(=C1)C(=CC3=NC4=CC=CC=C4O3)N=C2[O-].[Zn+2]

Isomeric SMILES

C1=CC=C2C(=N/C(=C\C3=NC4=CC=CC=C4O3)/C2=C1)[O-].C1=CC=C2C(=N/C(=C\C3=NC4=CC=CC=C4O3)/C2=C1)[O-].[Zn+2]

InChI

InChI=1S/2C16H10N2O2.Zn/c2*19-16-11-6-2-1-5-10(11)13(18-16)9-15-17-12-7-3-4-8-14(12)20-15;/h2*1-9H,(H,18,19);/q;;+2/p-2/b2*13-9-;