6-(1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one; zinc; chloride

Systemtic Name: 6-(1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one; zinc; chloride Openeye Name: 6-(1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one; zinc; chloride CAS Name: 6-(1,3-dihydrobenzimidazol-2-ylidene)-1-cyclohexa-2,4-dienone; zinc; chloride IUPAC Name: 6-(1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one; zinc; chloride Traditional Name: 6-(1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one; zinc; chloride Formula: C39H30ClN6O3Zn2- MolecularWeight: 796.9649

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=CC=CC3=O)N2.C1=CC=C2C(=C1)NC(=C3C=CC=CC3=O)N2.C1=CC=C2C(=C1)NC(=C3C=CC=CC3=O)N2.[Cl-].[Zn].[Zn]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C=CC=CC3=O)N2.C1=CC=C2C(=C1)NC(=C3C=CC=CC3=O)N2.C1=CC=C2C(=C1)NC(=C3C=CC=CC3=O)N2.[Cl-].[Zn].[Zn]

InChI

InChI=1S/3C13H10N2O.ClH.2Zn/c3*16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13;;;/h3*1-8,14-15H;1H;;/p-1