(Z)-3-oxidanyl-1,3-diphenyl-prop-2-en-1-one; titanium; dihydrate

Systemtic Name: (Z)-3-oxidanyl-1,3-diphenyl-prop-2-en-1-one; titanium; dihydrate Openeye Name: (Z)-3-hydroxy-1,3-diphenyl-prop-2-en-1-one; titanium; dihydrate CAS Name: (Z)-3-hydroxy-1,3-diphenyl-2-propen-1-one; titanium; dihydrate IUPAC Name: (Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one; titanium; dihydrate Traditional Name: (Z)-3-hydroxy-1,3-diphenyl-prop-2-en-1-one; titanium; dihydrate Formula: C30H28O6Ti MolecularWeight: 532.40672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)O.C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)O.O.O.[Ti]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C/C(=O)C2=CC=CC=C2)/O.C1=CC=C(C=C1)/C(=C/C(=O)C2=CC=CC=C2)/O.O.O.[Ti]

InChI

InChI=1S/2C15H12O2.2H2O.Ti/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;;/h2*1-11,16H;2*1H2;/b2*14-11-;;;