ethanolate; 2-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-olate; 1-phenylbutane-1,3-dione; titanium(4+)

Systemtic Name: ethanolate; 2-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-olate; 1-phenylbutane-1,3-dione; titanium(4+) Openeye Name: ethanolate; 2-hydroxy-9,10-dioxo-anthracen-1-olate; 1-phenylbutane-1,3-dione; titanium(4+) CAS Name: ethanolate; 2-hydroxy-9,10-dioxo-1-anthracenolate; 1-phenylbutane-1,3-dione; titanium(4+) IUPAC Name: ethanolate; 2-hydroxy-9,10-dioxoanthracen-1-olate; 1-phenylbutane-1,3-dione; titanium(4+) Traditional Name: ethanolate; 2-hydroxy-9,10-diketo-anthracen-1-olate; 1-phenylbutane-1,3-dione; titanium(4+) Formula: C36H30O9Ti MolecularWeight: 654.485

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Descriptors Computed from Structure

Canonical SMILES:

CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)[O-].[Ti+4]

Isomeric SMILES

CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)[O-].[Ti+4]

InChI

InChI=1S/C14H8O4.2C10H9O2.C2H5O.Ti/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16;2*1-8(11)7-10(12)9-5-3-2-4-6-9;1-2-3;/h1-6,15,18H;2*2-7H,1H3;2H2,1H3;/q;3*-1;+4/p-1