2-(1-adamantyliminomethyl)phenolate; ethanolate; titanium

Systemtic Name: 2-(1-adamantyliminomethyl)phenolate; ethanolate; titanium Openeye Name: 2-(1-adamantyliminomethyl)phenolate; ethanolate; titanium CAS Name: 2-(1-adamantyliminomethyl)phenolate; ethanolate; titanium IUPAC Name: 2-(1-adamantyliminomethyl)phenolate; ethanolate; titanium Traditional Name: 2-(1-adamantyliminomethyl)phenolate; ethanolate; titanium Formula: C38H50N2O4Ti-4 MolecularWeight: 646.6816

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Descriptors Computed from Structure

Canonical SMILES:

CC[O-].CC[O-].C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4[O-].C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4[O-].[Ti]

Isomeric SMILES

CC[O-].CC[O-].C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4[O-].C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4[O-].[Ti]

InChI

InChI=1S/2C17H21NO.2C2H5O.Ti/c2*19-16-4-2-1-3-15(16)11-18-17-8-12-5-13(9-17)7-14(6-12)10-17;2*1-2-3;/h2*1-4,11-14,19H,5-10H2;2*2H2,1H3;/q;;2*-1;/p-2