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2,3,4,5-tetradodecylphenol; titanium

Systemtic Name:	2,3,4,5-tetradodecylphenol; titanium
Openeye Name:	2,3,4,5-tetradodecylphenol; titanium
CAS Name:	2,3,4,5-tetradodecylphenol; titanium
IUPAC Name:	2,3,4,5-tetradodecylphenol; titanium
Traditional Name:	2,3,4,5-tetralaurylphenol; titanium
Formula:	C₂₁₆H₄₀₈O₄Ti
MolecularWeight:	3117.41532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)CCCCCCCCCCCC)CCCCCCCCCCCC)O.CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)CCCCCCCCCCCC)CCCCCCCCCCCC)O.CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)CCCCCCCCCCCC)CCCCCCCCCCCC)O.CCCCCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCCCCC)CCCCCCCCCCCC)CCCCCCCCCCCC)O.[Ti]

Isomeric SMILES

InChI

InChI=1S/4C54H102O.Ti/c4*1-5-9-13-17-21-25-29-33-37-41-45-50-49-54(55)53(48-44-40-36-32-28-24-20-16-12-8-4)52(47-43-39-35-31-27-23-19-15-11-7-3)51(50)46-42-38-34-30-26-22-18-14-10-6-2;/h4*49,55H,5-48H2,1-4H3;