hydrogen peroxide; pentanoate; propan-2-ylbenzene

Systemtic Name: hydrogen peroxide; pentanoate; propan-2-ylbenzene Openeye Name: cumene; hydrogen peroxide; pentanoate CAS Name: cumene; hydrogen peroxide; pentanoate IUPAC Name: cumene; hydrogen peroxide; pentanoate Traditional Name: cumene; hydrogen peroxide; valerate Formula: C14H23O4- MolecularWeight: 255.33002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)[O-].CC(C)C1=CC=CC=C1.OO

Isomeric SMILES

CCCCC(=O)[O-].CC(C)C1=CC=CC=C1.OO

InChI

InChI=1S/C9H12.C5H10O2.H2O2/c1-8(2)9-6-4-3-5-7-9;1-2-3-4-5(6)7;1-2/h3-8H,1-2H3;2-4H2,1H3,(H,6,7);1-2H/p-1