1-(dioxidanyl)-4-methyl-benzene; titanium

Systemtic Name: 1-(dioxidanyl)-4-methyl-benzene; titanium Openeye Name: 1-hydroperoxy-4-methyl-benzene; titanium CAS Name: 1-hydroperoxy-4-methylbenzene; titanium IUPAC Name: 1-hydroperoxy-4-methylbenzene; titanium Traditional Name: 1-hydroperoxy-4-methyl-benzene; titanium Formula: C28H32O8Ti MolecularWeight: 544.41588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OO.CC1=CC=C(C=C1)OO.CC1=CC=C(C=C1)OO.CC1=CC=C(C=C1)OO.[Ti]

Isomeric SMILES

CC1=CC=C(C=C1)OO.CC1=CC=C(C=C1)OO.CC1=CC=C(C=C1)OO.CC1=CC=C(C=C1)OO.[Ti]

InChI

InChI=1S/4C7H8O2.Ti/c4*1-6-2-4-7(9-8)5-3-6;/h4*2-5,8H,1H3;