1,3-diphenylpropane-1,3-dione; 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenolate; titanium

Systemtic Name: 1,3-diphenylpropane-1,3-dione; 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenolate; titanium Openeye Name: 1,3-diphenylpropane-1,3-dione; 4-[1-ethyl-2-(4-hydroxyphenyl)but-1-enyl]phenolate; titanium CAS Name: 1,3-diphenylpropane-1,3-dione; 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenolate; titanium IUPAC Name: 1,3-diphenylpropane-1,3-dione; 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenolate; titanium Traditional Name: 1,3-diphenylpropane-1,3-dione; 4-[1-ethyl-2-(4-hydroxyphenyl)but-1-enyl]phenolate; titanium Formula: C66H60O8Ti-4 MolecularWeight: 1029.0448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H20O2.2C15H11O2.Ti/c2*1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14;2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h2*5-12,19-20H,3-4H2,1-2H3;2*1-11H;/q;;2*-1;/p-2