4-bromanyl-3-butyl-6-methyl-isochromen-1-one

Systemtic Name: 4-bromanyl-3-butyl-6-methyl-isochromen-1-one Openeye Name: 4-bromo-3-butyl-6-methyl-isochromen-1-one CAS Name: 4-bromo-3-butyl-6-methyl-2-benzopyran-1-one IUPAC Name: 4-bromo-3-butyl-6-methylisochromen-1-one Traditional Name: 4-bromo-3-butyl-6-methyl-isocoumarin Formula: C14H15BrO2 MolecularWeight: 295.1717

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=CC(=C2)C)C(=O)O1)Br

Isomeric SMILES

CCCCC1=C(C2=C(C=CC(=C2)C)C(=O)O1)Br

InChI

InChI=1S/C14H15BrO2/c1-3-4-5-12-13(15)11-8-9(2)6-7-10(11)14(16)17-12/h6-8H,3-5H2,1-2H3