(6Z)-4-bromanyl-6-(methylaminomethylidene)-2-(triphenylmethyl)cyclohexa-2,4-dien-1-one; methanidylbenzene; zirconium

Systemtic Name: (6Z)-4-bromanyl-6-(methylaminomethylidene)-2-(triphenylmethyl)cyclohexa-2,4-dien-1-one; methanidylbenzene; zirconium Openeye Name: (6Z)-4-bromo-6-(methylaminomethylene)-2-trityl-cyclohexa-2,4-dien-1-one; methanidylbenzene; zirconium CAS Name: (6Z)-4-bromo-6-(methylaminomethylidene)-2-(triphenylmethyl)-1-cyclohexa-2,4-dienone; methanidylbenzene; zirconium IUPAC Name: (6Z)-4-bromo-6-(methylaminomethylidene)-2-tritylcyclohexa-2,4-dien-1-one; methanidylbenzene; zirconium Traditional Name: (6Z)-4-bromo-6-(methylaminomethylene)-2-trityl-cyclohexa-2,4-dien-1-one; methanidylbenzene; zirconium Formula: C68H58Br2N2O2Zr-2 MolecularWeight: 1186.23232

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Descriptors Computed from Structure

Canonical SMILES:

CNC=C1C=C(C=C(C1=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)Br.CNC=C1C=C(C=C(C1=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)Br.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr]

Isomeric SMILES

CN/C=C/1\C(=O)C(=CC(=C1)Br)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CN/C=C/1\C(=O)C(=CC(=C1)Br)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr]

InChI

InChI=1S/2C27H22BrNO.2C7H7.Zr/c2*1-29-19-20-17-24(28)18-25(26(20)30)27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;2*1-7-5-3-2-4-6-7;/h2*2-19,29H,1H3;2*2-6H,1H2;/q;;2*-1;/b2*20-19-;;;