3-(4-bromanylbutoxy)-4-chloranyl-isochromen-1-one

Systemtic Name: 3-(4-bromanylbutoxy)-4-chloranyl-isochromen-1-one Openeye Name: 3-(4-bromobutoxy)-4-chloro-isochromen-1-one CAS Name: 3-(4-bromobutoxy)-4-chloro-2-benzopyran-1-one IUPAC Name: 3-(4-bromobutoxy)-4-chloroisochromen-1-one Traditional Name: 3-(4-bromobutoxy)-4-chloro-isocoumarin Formula: C13H12BrClO3 MolecularWeight: 331.58958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(OC2=O)OCCCCBr)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(OC2=O)OCCCCBr)Cl

InChI

InChI=1S/C13H12BrClO3/c14-7-3-4-8-17-13-11(15)9-5-1-2-6-10(9)12(16)18-13/h1-2,5-6H,3-4,7-8H2