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

Systemtic Name: 16-methylheptadecanoic acid; 2-oxidanylethanoic acid; 4-(2-phenylpropan-2-yl)phenol; titanium Openeye Name: 2-hydroxyacetic acid; 16-methylheptadecanoic acid; 4-(1-methyl-1-phenyl-ethyl)phenol; titanium CAS Name: 2-hydroxyacetic acid; 16-methylheptadecanoic acid; 4-(2-phenylpropan-2-yl)phenol; titanium IUPAC Name: 2-hydroxyacetic acid; 16-methylheptadecanoic acid; 4-(2-phenylpropan-2-yl)phenol; titanium Traditional Name: 4-cumylphenol; glycolic acid; 16-methylheptadecanoic acid; titanium Formula: C35H56O6Ti MolecularWeight: 620.68254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2.C15H16O.C2H4O3.Ti/c1-17(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;3-1-2(4)5;/h17H,3-16H2,1-2H3,(H,19,20);3-11,16H,1-2H3;3H,1H2,(H,4,5);