bis(chloranyl)zirconium; (6Z)-6-[(cyclohexylamino)methylidene]-2-methyl-4-phenoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: bis(chloranyl)zirconium; (6Z)-6-[(cyclohexylamino)methylidene]-2-methyl-4-phenoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[(cyclohexylamino)methylene]-2-methyl-4-phenoxy-cyclohexa-2,4-dien-1-one; dichlorozirconium CAS Name: (6Z)-6-[(cyclohexylamino)methylidene]-2-methyl-4-phenoxy-1-cyclohexa-2,4-dienone; dichlorozirconium IUPAC Name: (6Z)-6-[(cyclohexylamino)methylidene]-2-methyl-4-phenoxycyclohexa-2,4-dien-1-one; dichlorozirconium Traditional Name: (6Z)-6-[(cyclohexylamino)methylene]-2-methyl-4-phenoxy-cyclohexa-2,4-dien-1-one; dichlorozirconium Formula: C20H23Cl2NO2Zr MolecularWeight: 471.53212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=CNC2CCCCC2)C1=O)OC3=CC=CC=C3.Cl[Zr]Cl

Isomeric SMILES

CC1=CC(=C/C(=C/NC2CCCCC2)/C1=O)OC3=CC=CC=C3.Cl[Zr]Cl

InChI

InChI=1S/C20H23NO2.2ClH.Zr/c1-15-12-19(23-18-10-6-3-7-11-18)13-16(20(15)22)14-21-17-8-4-2-5-9-17;;;/h3,6-7,10-14,17,21H,2,4-5,8-9H2,1H3;2*1H;/q;;;+2/p-2/b16-14-;;;