5-octoxy-2-(phenylcarbonyl)phenolate; titanium(2+); dichloride

Systemtic Name: 5-octoxy-2-(phenylcarbonyl)phenolate; titanium(2+); dichloride Openeye Name: 2-benzoyl-5-octoxy-phenolate; titanium(2+); dichloride CAS Name: 2-benzoyl-5-octoxyphenolate; titanium(2+); dichloride IUPAC Name: 2-benzoyl-5-octoxyphenolate; titanium(2+); dichloride Traditional Name: 2-benzoyl-5-octoxy-phenolate; titanium(2+); dichloride Formula: C42H50Cl2O6Ti-2 MolecularWeight: 769.6158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)[O-].CCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)[O-].[Cl-].[Cl-].[Ti+2]

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)[O-].CCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)[O-].[Cl-].[Cl-].[Ti+2]

InChI

InChI=1S/2C21H26O3.2ClH.Ti/c2*1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17;;;/h2*7-9,11-14,16,22H,2-6,10,15H2,1H3;2*1H;/q;;;;+2/p-4