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

Systemtic Name: 16-methylheptadecanoic acid; 4-(2-phenylpropan-2-yl)phenol; propan-2-ol; titanium Openeye Name: 16-methylheptadecanoic acid; 4-(1-methyl-1-phenyl-ethyl)phenol; propan-2-ol; titanium CAS Name: 16-methylheptadecanoic acid; 4-(2-phenylpropan-2-yl)phenol; 2-propanol; titanium IUPAC Name: 16-methylheptadecanoic acid; 4-(2-phenylpropan-2-yl)phenol; propan-2-ol; titanium Traditional Name: 4-cumylphenol; 16-methylheptadecanoic acid; propan-2-ol; titanium Formula: C54H96O6Ti MolecularWeight: 889.20344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H36O2.C15H16O.C3H8O.Ti/c2*1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13;1-3(2)4;/h2*17H,3-16H2,1-2H3,(H,19,20);3-11,16H,1-2H3;3-4H,1-2H3;