5-[(E)-4-bromanyl-3-methyl-but-2-enyl]-6-methoxy-4-oxidanyl-3H-2-benzofuran-1-one

Systemtic Name: 5-[(E)-4-bromanyl-3-methyl-but-2-enyl]-6-methoxy-4-oxidanyl-3H-2-benzofuran-1-one Openeye Name: 5-[(E)-4-bromo-3-methyl-but-2-enyl]-4-hydroxy-6-methoxy-3H-isobenzofuran-1-one CAS Name: 5-[(E)-4-bromo-3-methylbut-2-enyl]-4-hydroxy-6-methoxy-3H-isobenzofuran-1-one IUPAC Name: 5-[(E)-4-bromo-3-methylbut-2-enyl]-4-hydroxy-6-methoxy-3H-2-benzofuran-1-one Traditional Name: 5-[(E)-4-bromo-3-methyl-but-2-enyl]-4-hydroxy-6-methoxy-phthalide Formula: C14H15BrO4 MolecularWeight: 327.1705

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C(C=C2C(=C1O)COC2=O)OC)CBr

Isomeric SMILES

C/C(=C\CC1=C(C=C2C(=C1O)COC2=O)OC)/CBr

InChI

InChI=1S/C14H15BrO4/c1-8(6-15)3-4-9-12(18-2)5-10-11(13(9)16)7-19-14(10)17/h3,5,16H,4,6-7H2,1-2H3/b8-3+