zinc (3Z)-3-[(3,3-dimethylindol-2-yl)methylidene]isoindol-1-olate

Systemtic Name: zinc (3Z)-3-[(3,3-dimethylindol-2-yl)methylidene]isoindol-1-olate Openeye Name: zinc (3Z)-3-[(3,3-dimethylindol-2-yl)methylene]isoindol-1-olate CAS Name: zinc (3Z)-3-[(3,3-dimethyl-2-indolyl)methylidene]-1-isoindololate IUPAC Name: zinc (3Z)-3-[(3,3-dimethylindol-2-yl)methylidene]isoindol-1-olate Traditional Name: zinc (3Z)-3-[(3,3-dimethylindol-2-yl)methylene]isoindol-1-olate Formula: C38H30N4O2Zn MolecularWeight: 640.0794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N=C1C=C3C4=CC=CC=C4C(=N3)[O-])C.CC1(C2=CC=CC=C2N=C1C=C3C4=CC=CC=C4C(=N3)[O-])C.[Zn+2]

Isomeric SMILES

CC1(C(=NC2=CC=CC=C12)/C=C/3\N=C(C4=CC=CC=C34)[O-])C.CC1(C(=NC2=CC=CC=C12)/C=C/3\N=C(C4=CC=CC=C34)[O-])C.[Zn+2]

InChI

InChI=1S/2C19H16N2O.Zn/c2*1-19(2)14-9-5-6-10-15(14)20-17(19)11-16-12-7-3-4-8-13(12)18(22)21-16;/h2*3-11H,1-2H3,(H,21,22);/q;;+2/p-2/b2*16-11-;