1,4-bis(oxidanylidene)naphthalen-2-olate; ethanolate; 1-phenylbutane-1,3-dione; titanium

Systemtic Name: 1,4-bis(oxidanylidene)naphthalen-2-olate; ethanolate; 1-phenylbutane-1,3-dione; titanium Openeye Name: 1,4-dioxonaphthalen-2-olate; ethanolate; 1-phenylbutane-1,3-dione; titanium CAS Name: 1,4-dioxo-2-naphthalenolate; ethanolate; 1-phenylbutane-1,3-dione; titanium IUPAC Name: 1,4-dioxonaphthalen-2-olate; ethanolate; 1-phenylbutane-1,3-dione; titanium Traditional Name: 1,4-diketonaphthalen-2-olate; ethanolate; 1-phenylbutane-1,3-dione; titanium Formula: C32H28O8Ti-4 MolecularWeight: 588.42692

Click to see the large picture

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)C=C(C2=O)[O-].[Ti]

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)C=C(C2=O)[O-].[Ti]

InChI

InChI=1S/C10H6O3.2C10H9O2.C2H5O.Ti/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8;2*1-8(11)7-10(12)9-5-3-2-4-6-9;1-2-3;/h1-5,12H;2*2-7H,1H3;2H2,1H3;/q;3*-1;/p-1