6,7-bis(bromanyl)-3,4-diphenyl-isochromen-1-one

Systemtic Name: 6,7-bis(bromanyl)-3,4-diphenyl-isochromen-1-one Openeye Name: 6,7-dibromo-3,4-diphenyl-isochromen-1-one CAS Name: 6,7-dibromo-3,4-diphenyl-2-benzopyran-1-one IUPAC Name: 6,7-dibromo-3,4-diphenylisochromen-1-one Traditional Name: 6,7-dibromo-3,4-diphenyl-isocoumarin Formula: C21H12Br2O2 MolecularWeight: 456.12678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=O)C3=CC(=C(C=C32)Br)Br)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=O)C3=CC(=C(C=C32)Br)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H12Br2O2/c22-17-11-15-16(12-18(17)23)21(24)25-20(14-9-5-2-6-10-14)19(15)13-7-3-1-4-8-13/h1-12H