ethanol; (Z)-4-oxidanyl-4-phenyl-but-3-en-2-one; titanium

Systemtic Name: ethanol; (Z)-4-oxidanyl-4-phenyl-but-3-en-2-one; titanium Openeye Name: ethanol; (Z)-4-hydroxy-4-phenyl-but-3-en-2-one; titanium CAS Name: ethanol; (Z)-4-hydroxy-4-phenyl-3-buten-2-one; titanium IUPAC Name: ethanol; (Z)-4-hydroxy-4-phenylbut-3-en-2-one; titanium Traditional Name: ethanol; (Z)-4-hydroxy-4-phenyl-but-3-en-2-one; titanium Formula: C24H32O6Ti MolecularWeight: 464.37428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCO.CCO.CC(=O)C=C(C1=CC=CC=C1)O.CC(=O)C=C(C1=CC=CC=C1)O.[Ti]

Isomeric SMILES

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

InChI

InChI=1S/2C10H10O2.2C2H6O.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*3H,2H2,1H3;/b2*10-7-;;;