3-(2-bromanylphenoxy)-2-methyl-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(2-bromanylphenoxy)-2-methyl-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(2-bromophenoxy)-4-hydroxy-2-methyl-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(2-bromophenoxy)-4-hydroxy-2-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(2-bromophenoxy)-4-hydroxy-2-methyl-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(2-bromophenoxy)-4-hydroxy-2-methyl-5,6,8,8a-tetrahydrochromen-7-one Formula: C16H15BrO4 MolecularWeight: 351.1919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)CC2O1)O)OC3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C(=C2CCC(=O)CC2O1)O)OC3=CC=CC=C3Br

InChI

InChI=1S/C16H15BrO4/c1-9-16(21-13-5-3-2-4-12(13)17)15(19)11-7-6-10(18)8-14(11)20-9/h2-5,14,19H,6-8H2,1H3