5-bromanyl-3-(hydroxymethyl)-4-(4-methoxyphenyl)-5-methyl-2-oxidanyl-cyclopent-2-en-1-one

Systemtic Name: 5-bromanyl-3-(hydroxymethyl)-4-(4-methoxyphenyl)-5-methyl-2-oxidanyl-cyclopent-2-en-1-one Openeye Name: 5-bromo-2-hydroxy-3-(hydroxymethyl)-4-(4-methoxyphenyl)-5-methyl-cyclopent-2-en-1-one CAS Name: 5-bromo-2-hydroxy-3-(hydroxymethyl)-4-(4-methoxyphenyl)-5-methyl-1-cyclopent-2-enone IUPAC Name: 5-bromo-2-hydroxy-3-(hydroxymethyl)-4-(4-methoxyphenyl)-5-methylcyclopent-2-en-1-one Traditional Name: 5-bromo-2-hydroxy-4-(4-methoxyphenyl)-5-methyl-3-methylol-cyclopent-2-en-1-one Formula: C14H15BrO4 MolecularWeight: 327.1705

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=C(C1=O)O)CO)C2=CC=C(C=C2)OC)Br

Isomeric SMILES

CC1(C(C(=C(C1=O)O)CO)C2=CC=C(C=C2)OC)Br

InChI

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