2-(4-methoxyphenyl)-2-oxidanylidene-ethanoic acid; propan-2-ol; titanium

Systemtic Name: 2-(4-methoxyphenyl)-2-oxidanylidene-ethanoic acid; propan-2-ol; titanium Openeye Name: 2-(4-methoxyphenyl)-2-oxo-acetic acid; propan-2-ol; titanium CAS Name: 2-(4-methoxyphenyl)-2-oxoacetic acid; 2-propanol; titanium IUPAC Name: 2-(4-methoxyphenyl)-2-oxoacetic acid; propan-2-ol; titanium Traditional Name: 2-keto-2-(4-methoxyphenyl)acetic acid; propan-2-ol; titanium Formula: C18H32O7Ti MolecularWeight: 408.30948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CC(C)O.CC(C)O.COC1=CC=C(C=C1)C(=O)C(=O)O.[Ti]

Isomeric SMILES

CC(C)O.CC(C)O.CC(C)O.COC1=CC=C(C=C1)C(=O)C(=O)O.[Ti]

InChI

InChI=1S/C9H8O4.3C3H8O.Ti/c1-13-7-4-2-6(3-5-7)8(10)9(11)12;3*1-3(2)4;/h2-5H,1H3,(H,11,12);3*3-4H,1-2H3;