ethanolate; [(Z)-1-oxidanyl-3-oxidanylidene-but-1-enyl]-phenyl-azanide; titanium

Systemtic Name: ethanolate; [(Z)-1-oxidanyl-3-oxidanylidene-but-1-enyl]-phenyl-azanide; titanium Openeye Name: ethanolate; [(Z)-1-hydroxy-3-oxo-but-1-enyl]-phenyl-azanide; titanium CAS Name: ethanolate; [(Z)-1-hydroxy-3-oxobut-1-enyl]-phenylazanide; titanium IUPAC Name: ethanolate; [(Z)-1-hydroxy-3-oxobut-1-enyl]-phenylazanide; titanium Traditional Name: ethanolate; [(Z)-1-hydroxy-3-keto-but-1-enyl]-phenyl-azanide; titanium Formula: C24H30N2O6Ti-4 MolecularWeight: 490.3718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H11NO2.2C2H5O.Ti/c2*1-8(12)7-10(13)11-9-5-3-2-4-6-9;2*1-2-3;/h2*2-7H,1H3,(H2,11,12,13);2*2H2,1H3;/q;;2*-1;/p-2