ethanolate; (Z)-3-oxidanylidene-1-phenyl-but-1-en-1-olate; titanium(4+)

Systemtic Name: ethanolate; (Z)-3-oxidanylidene-1-phenyl-but-1-en-1-olate; titanium(4+) Openeye Name: ethanolate; (Z)-3-oxo-1-phenyl-but-1-en-1-olate; titanium(4+) CAS Name: ethanolate; (Z)-3-oxo-1-phenyl-1-buten-1-olate; titanium(4+) IUPAC Name: ethanolate; (Z)-3-oxo-1-phenylbut-1-en-1-olate; titanium(4+) Traditional Name: ethanolate; (Z)-3-keto-1-phenyl-but-1-en-1-olate; titanium(4+) Formula: C24H28O6Ti MolecularWeight: 460.34252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[O-].CC[O-].CC(=O)/C=C(\[O-])/C1=CC=CC=C1.CC(=O)/C=C(\[O-])/C1=CC=CC=C1.[Ti+4]

InChI

InChI=1S/2C10H10O2.2C2H5O.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*1-2-3;/h2*2-7,12H,1H3;2*2H2,1H3;/q;;2*-1;+4/p-2/b2*10-7-;;;