[(Z)-4-oxidanyl-3-phenyl-pent-3-en-2-ylidene]oxidanium; titanium

Systemtic Name: [(Z)-4-oxidanyl-3-phenyl-pent-3-en-2-ylidene]oxidanium; titanium Openeye Name: [(Z)-3-hydroxy-1-methyl-2-phenyl-but-2-enylidene]oxonium; titanium CAS Name: [(Z)-4-hydroxy-3-phenylpent-3-en-2-ylidene]oxonium; titanium IUPAC Name: [(Z)-4-hydroxy-3-phenylpent-3-en-2-ylidene]oxidanium; titanium Traditional Name: [(Z)-3-hydroxy-1-methyl-2-phenyl-but-2-enylidene]oxonium; titanium Formula: C22H26O4Ti+2 MolecularWeight: 402.30644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H12O2.Ti/c2*1-8(12)11(9(2)13)10-6-4-3-5-7-10;/h2*3-7,12H,1-2H3;/p+2/b2*11-8+;