1,12-diphenyldodecane-1,3,10,12-tetrone; ethanolate; titanium(4+)

Systemtic Name: 1,12-diphenyldodecane-1,3,10,12-tetrone; ethanolate; titanium(4+) Openeye Name: 1,12-diphenyldodecane-1,3,10,12-tetrone; ethanolate; titanium(4+) CAS Name: 1,12-diphenyldodecane-1,3,10,12-tetrone; ethanolate; titanium(4+) IUPAC Name: 1,12-diphenyldodecane-1,3,10,12-tetrone; ethanolate; titanium(4+) Traditional Name: 1,12-diphenyldodecane-1,3,10,12-tetrone; ethanolate; titanium(4+) Formula: C28H34O6Ti MolecularWeight: 514.43296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24O4.2C2H5O.Ti/c25-21(17-23(27)19-11-5-3-6-12-19)15-9-1-2-10-16-22(26)18-24(28)20-13-7-4-8-14-20;2*1-2-3;/h3-8,11-14,17-18H,1-2,9-10,15-16H2;2*2H2,1H3;/q-2;2*-1;+4