1H-inden-1-ide; methanolate; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; titanium(4+)

Systemtic Name: 1H-inden-1-ide; methanolate; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; titanium(4+) Openeye Name: 1H-inden-1-ide; methanolate; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; titanium(4+) CAS Name: 1H-inden-1-ide; methanolate; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; titanium(4+) IUPAC Name: 1H-inden-1-ide; methanolate; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; titanium(4+) Traditional Name: 1H-inden-1-ide; methanolate; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; titanium(4+) Formula: C60H58O3Ti MolecularWeight: 874.96772

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Descriptors Computed from Structure

Canonical SMILES:

C[O-].C[O-].C[O-].[CH-]1C=CC2=CC=CC=C21.C1=CC=C(C=C1)C=CC=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC=CC2=CC=CC=C2.[Ti+4]

Isomeric SMILES

C[O-].C[O-].C[O-].[CH-]1C2=CC=CC=C2C=C1.C1=CC=C(C=C1)/C=C/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C=C/C2=CC=CC=C2.[Ti+4]

InChI

InChI=1S/3C16H14.C9H7.3CH3O.Ti/c3*1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;1-2-5-9-7-3-6-8(9)4-1;3*1-2;/h3*1-14H;1-7H;3*1H3;/q;;;4*-1;+4/b3*13-7+,14-8+;;;;;