3-[[6-bromanyl-2-(methoxymethyl)-2,3-dimethyl-3-oxidanyl-4H-chromen-4-yl]oxy]cyclopent-2-en-1-one

Systemtic Name: 3-[[6-bromanyl-2-(methoxymethyl)-2,3-dimethyl-3-oxidanyl-4H-chromen-4-yl]oxy]cyclopent-2-en-1-one Openeye Name: 3-[6-bromo-3-hydroxy-2-(methoxymethyl)-2,3-dimethyl-chroman-4-yl]oxycyclopent-2-en-1-one CAS Name: 3-[[6-bromo-3-hydroxy-2-(methoxymethyl)-2,3-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-1-cyclopent-2-enone IUPAC Name: 3-[[6-bromo-3-hydroxy-2-(methoxymethyl)-2,3-dimethyl-4H-chromen-4-yl]oxy]cyclopent-2-en-1-one Traditional Name: 3-[6-bromo-3-hydroxy-2-(methoxymethyl)-2,3-dimethyl-chroman-4-yl]oxycyclopent-2-en-1-one Formula: C18H21BrO5 MolecularWeight: 397.26034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)Br)OC3=CC(=O)CC3)(C)O)COC

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)Br)OC3=CC(=O)CC3)(C)O)COC

InChI

InChI=1S/C18H21BrO5/c1-17(10-22-3)18(2,21)16(23-13-6-5-12(20)9-13)14-8-11(19)4-7-15(14)24-17/h4,7-9,16,21H,5-6,10H2,1-3H3