ethanolate; 3-oxidanylidene-2-phenyl-inden-1-olate; titanium(4+)

Systemtic Name: ethanolate; 3-oxidanylidene-2-phenyl-inden-1-olate; titanium(4+) Openeye Name: ethanolate; 3-oxo-2-phenyl-inden-1-olate; titanium(4+) CAS Name: ethanolate; 3-oxo-2-phenyl-1-indenolate; titanium(4+) IUPAC Name: ethanolate; 3-oxo-2-phenylinden-1-olate; titanium(4+) Traditional Name: ethanolate; 3-keto-2-phenyl-inden-1-olate; titanium(4+) Formula: C34H28O6Ti MolecularWeight: 580.44952

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Descriptors Computed from Structure

Canonical SMILES:

CC[O-].CC[O-].C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)[O-].C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)[O-].[Ti+4]

Isomeric SMILES

CC[O-].CC[O-].C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)[O-].C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)[O-].[Ti+4]

InChI

InChI=1S/2C15H10O2.2C2H5O.Ti/c2*16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10;2*1-2-3;/h2*1-9,16H;2*2H2,1H3;/q;;2*-1;+4/p-2