1,14-diphenyltetradecane-1,3,12,14-tetrone; ethanolate; titanium

Systemtic Name: 1,14-diphenyltetradecane-1,3,12,14-tetrone; ethanolate; titanium Openeye Name: 1,14-diphenyltetradecane-1,3,12,14-tetrone; ethanolate; titanium CAS Name: 1,14-diphenyltetradecane-1,3,12,14-tetrone; ethanolate; titanium IUPAC Name: 1,14-diphenyltetradecane-1,3,12,14-tetrone; ethanolate; titanium Traditional Name: 1,14-diphenyltetradecane-1,3,12,14-tetrone; ethanolate; titanium Formula: C30H38O6Ti-4 MolecularWeight: 542.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC[O-].CC[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)CCCCCCCCC(=O)[CH-]C(=O)C2=CC=CC=C2.[Ti]

Isomeric SMILES

CC[O-].CC[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)CCCCCCCCC(=O)[CH-]C(=O)C2=CC=CC=C2.[Ti]

InChI

InChI=1S/C26H28O4.2C2H5O.Ti/c27-23(19-25(29)21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(28)20-26(30)22-15-9-6-10-16-22;2*1-2-3;/h5-10,13-16,19-20H,1-4,11-12,17-18H2;2*2H2,1H3;/q-2;2*-1;