1-(dioxidanyl)-2,3,4,5-tetradodecyl-benzene; titanium

Systemtic Name: 1-(dioxidanyl)-2,3,4,5-tetradodecyl-benzene; titanium Openeye Name: 1,2,3,4-tetradodecyl-5-hydroperoxy-benzene; titanium CAS Name: 1,2,3,4-tetradodecyl-5-hydroperoxybenzene; titanium IUPAC Name: 1,2,3,4-tetradodecyl-5-hydroperoxybenzene; titanium Traditional Name: 1-hydroperoxy-2,3,4,5-tetralauryl-benzene; titanium Formula: C216H408O8Ti MolecularWeight: 3181.41292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C54H102O2.Ti/c4*1-5-9-13-17-21-25-29-33-37-41-45-50-49-54(56-55)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;