[1,3-bis(oxidanylidene)inden-2-ylidene]-phenyl-methanolate; ethanolate; titanium(4+)

Systemtic Name: [1,3-bis(oxidanylidene)inden-2-ylidene]-phenyl-methanolate; ethanolate; titanium(4+) Openeye Name: (1,3-dioxoindan-2-ylidene)-phenyl-methanolate; ethanolate; titanium(4+) CAS Name: (1,3-dioxo-2-indenylidene)-phenylmethanolate; ethanolate; titanium(4+) IUPAC Name: (1,3-dioxoinden-2-ylidene)-phenylmethanolate; ethanolate; titanium(4+) Traditional Name: (1,3-diketoindan-2-ylidene)-phenyl-methanolate; ethanolate; titanium(4+) Formula: C36H28O8Ti MolecularWeight: 636.46972

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Descriptors Computed from Structure

Canonical SMILES:

CC[O-].CC[O-].C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].[Ti+4]

Isomeric SMILES

CC[O-].CC[O-].C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].[Ti+4]

InChI

InChI=1S/2C16H10O3.2C2H5O.Ti/c2*17-14(10-6-2-1-3-7-10)13-15(18)11-8-4-5-9-12(11)16(13)19;2*1-2-3;/h2*1-9,17H;2*2H2,1H3;/q;;2*-1;+4/p-2