2-methyl-3-oxidanylidene-butanoic acid; titanium(4+); tetraphenoxide

Systemtic Name: 2-methyl-3-oxidanylidene-butanoic acid; titanium(4+); tetraphenoxide Openeye Name: 2-methyl-3-oxo-butanoic acid; titanium(4+); tetraphenoxide CAS Name: 2-methyl-3-oxobutanoic acid; titanium(4+); tetraphenoxide IUPAC Name: 2-methyl-3-oxobutanoic acid; titanium(4+); tetraphenoxide Traditional Name: 3-keto-2-methyl-butyric acid; titanium(4+); tetraphenoxide Formula: C29H28O7Ti MolecularWeight: 536.39542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)C(=O)O.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+4]

Isomeric SMILES

CC(C(=O)C)C(=O)O.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+4]

InChI

InChI=1S/4C6H6O.C5H8O3.Ti/c4*7-6-4-2-1-3-5-6;1-3(4(2)6)5(7)8;/h4*1-5,7H;3H,1-2H3,(H,7,8);/q;;;;;+4/p-4