3-[[3,4-bis(oxidanyl)phenyl]methyl]-5-(3,4-dimethoxyphenyl)oxan-2-one

Systemtic Name: 3-[[3,4-bis(oxidanyl)phenyl]methyl]-5-(3,4-dimethoxyphenyl)oxan-2-one Openeye Name: 3-[(3,4-dihydroxyphenyl)methyl]-5-(3,4-dimethoxyphenyl)tetrahydropyran-2-one CAS Name: 3-[(3,4-dihydroxyphenyl)methyl]-5-(3,4-dimethoxyphenyl)-2-oxanone IUPAC Name: 3-[(3,4-dihydroxyphenyl)methyl]-5-(3,4-dimethoxyphenyl)oxan-2-one Traditional Name: 5-(3,4-dimethoxyphenyl)-3-protocatechuyl-tetrahydropyran-2-one Formula: C20H22O6 MolecularWeight: 358.38508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)O)O)OC

InChI

InChI=1S/C20H22O6/c1-24-18-6-4-13(10-19(18)25-2)15-9-14(20(23)26-11-15)7-12-3-5-16(21)17(22)8-12/h3-6,8,10,14-15,21-22H,7,9,11H2,1-2H3