1-(dioxidanyl)-3-octyl-benzene; 3-octyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

Systemtic Name: 1-(dioxidanyl)-3-octyl-benzene; 3-octyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene Openeye Name: 1-hydroperoxy-3-octyl-benzene; 3-octyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene CAS Name: 1-hydroperoxy-3-octylbenzene; 3-octyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: 1-hydroperoxy-3-octylbenzene; 3-octyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene Traditional Name: 1-hydroperoxy-3-octyl-benzene; 3-octyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene Formula: C28H42O3 MolecularWeight: 426.63128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=CC=C1)OO.CCCCCCCCC1=C2C=CC(=C1)O2

Isomeric SMILES

CCCCCCCCC1=CC(=CC=C1)OO.CCCCCCCCC1=C2C=CC(=C1)O2

InChI

InChI=1S/C14H22O2.C14H20O/c1-2-3-4-5-6-7-9-13-10-8-11-14(12-13)16-15;1-2-3-4-5-6-7-8-12-11-13-9-10-14(12)15-13/h8,10-12,15H,2-7,9H2,1H3;9-11H,2-8H2,1H3