5-bromanyl-6-methoxy-8-oxidanyl-3-propyl-3,4-dihydroisochromen-1-one

Systemtic Name: 5-bromanyl-6-methoxy-8-oxidanyl-3-propyl-3,4-dihydroisochromen-1-one Openeye Name: 5-bromo-8-hydroxy-6-methoxy-3-propyl-isochroman-1-one CAS Name: 5-bromo-8-hydroxy-6-methoxy-3-propyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 5-bromo-8-hydroxy-6-methoxy-3-propyl-3,4-dihydroisochromen-1-one Traditional Name: 5-bromo-8-hydroxy-6-methoxy-3-propyl-isochroman-1-one Formula: C13H15BrO4 MolecularWeight: 315.1598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC2=C(C(=CC(=C2Br)OC)O)C(=O)O1

Isomeric SMILES

CCCC1CC2=C(C(=CC(=C2Br)OC)O)C(=O)O1

InChI

InChI=1S/C13H15BrO4/c1-3-4-7-5-8-11(13(16)18-7)9(15)6-10(17-2)12(8)14/h6-7,15H,3-5H2,1-2H3