3-(7-bromanyl-6-oxidanyl-1,3-benzodioxol-5-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol

Systemtic Name: 3-(7-bromanyl-6-oxidanyl-1,3-benzodioxol-5-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol Openeye Name: 3-(7-bromo-6-hydroxy-1,3-benzodioxol-5-yl)-7-methoxy-chroman-4-ol CAS Name: 3-(7-bromo-6-hydroxy-1,3-benzodioxol-5-yl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name: 3-(7-bromo-6-hydroxy-1,3-benzodioxol-5-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol Traditional Name: 3-(7-bromo-6-hydroxy-1,3-benzodioxol-5-yl)-7-methoxy-chroman-4-ol Formula: C17H15BrO6 MolecularWeight: 395.2014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C(CO2)C3=CC4=C(C(=C3O)Br)OCO4)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(C(CO2)C3=CC4=C(C(=C3O)Br)OCO4)O

InChI

InChI=1S/C17H15BrO6/c1-21-8-2-3-9-12(4-8)22-6-11(15(9)19)10-5-13-17(24-7-23-13)14(18)16(10)20/h2-5,11,15,19-20H,6-7H2,1H3