decan-1-ol; 4-(2-phenylpropan-2-yl)phenol; propan-2-ol; titanium

Systemtic Name: decan-1-ol; 4-(2-phenylpropan-2-yl)phenol; propan-2-ol; titanium Openeye Name: decan-1-ol; 4-(1-methyl-1-phenyl-ethyl)phenol; propan-2-ol; titanium CAS Name: 1-decanol; 4-(2-phenylpropan-2-yl)phenol; 2-propanol; titanium IUPAC Name: decan-1-ol; 4-(2-phenylpropan-2-yl)phenol; propan-2-ol; titanium Traditional Name: 4-cumylphenol; decan-1-ol; propan-2-ol; titanium Formula: C38H68O4Ti MolecularWeight: 636.81112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16O.2C10H22O.C3H8O.Ti/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13;2*1-2-3-4-5-6-7-8-9-10-11;1-3(2)4;/h3-11,16H,1-2H3;2*11H,2-10H2,1H3;3-4H,1-2H3;