butane; dioxidanylmethylbenzene

Systemtic Name: butane; dioxidanylmethylbenzene Openeye Name: butane; hydroperoxymethylbenzene CAS Name: butane; hydroperoxymethylbenzene IUPAC Name: butane; hydroperoxymethylbenzene Traditional Name: hydroperoxymethylbenzene; n-butane Formula: C11H18O2 MolecularWeight: 182.25942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1=CC=C(C=C1)COO

Isomeric SMILES

CCCC.C1=CC=C(C=C1)COO

InChI

InChI=1S/C7H8O2.C4H10/c8-9-6-7-4-2-1-3-5-7;1-3-4-2/h1-5,8H,6H2;3-4H2,1-2H3