4-(2-phenylpropan-2-yl)phenol; propan-2-ol; titanium

Systemtic Name: 4-(2-phenylpropan-2-yl)phenol; propan-2-ol; titanium Openeye Name: 4-(1-methyl-1-phenyl-ethyl)phenol; propan-2-ol; titanium CAS Name: 4-(2-phenylpropan-2-yl)phenol; 2-propanol; titanium IUPAC Name: 4-(2-phenylpropan-2-yl)phenol; propan-2-ol; titanium Traditional Name: 4-cumylphenol; propan-2-ol; titanium Formula: C48H56O4Ti MolecularWeight: 744.82284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C15H16O.C3H8O.Ti/c3*1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13;1-3(2)4;/h3*3-11,16H,1-2H3;3-4H,1-2H3;