3-[1,2-bis(bromanyl)butyl]isochromen-1-one

Systemtic Name: 3-[1,2-bis(bromanyl)butyl]isochromen-1-one Openeye Name: 3-(1,2-dibromobutyl)isochromen-1-one CAS Name: 3-(1,2-dibromobutyl)-2-benzopyran-1-one IUPAC Name: 3-(1,2-dibromobutyl)isochromen-1-one Traditional Name: 3-(1,2-dibromobutyl)isocoumarin Formula: C13H12Br2O2 MolecularWeight: 360.04118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC2=CC=CC=C2C(=O)O1)Br)Br

Isomeric SMILES

CCC(C(C1=CC2=CC=CC=C2C(=O)O1)Br)Br

InChI

InChI=1S/C13H12Br2O2/c1-2-10(14)12(15)11-7-8-5-3-4-6-9(8)13(16)17-11/h3-7,10,12H,2H2,1H3