2-[3,4-bis(oxidanyl)phenyl]-8-methoxy-5-oxidanyl-2,3-dihydrothiochromen-4-one

Systemtic Name: 2-[3,4-bis(oxidanyl)phenyl]-8-methoxy-5-oxidanyl-2,3-dihydrothiochromen-4-one Openeye Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-8-methoxy-thiochroman-4-one CAS Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-8-methoxy-2,3-dihydro-1-benzothiopyran-4-one IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-8-methoxy-2,3-dihydrothiochromen-4-one Traditional Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-8-methoxy-thiochroman-4-one Formula: C16H14O5S MolecularWeight: 318.34436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)O)C(=O)CC(S2)C3=CC(=C(C=C3)O)O

Isomeric SMILES

COC1=C2C(=C(C=C1)O)C(=O)CC(S2)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C16H14O5S/c1-21-13-5-4-10(18)15-12(20)7-14(22-16(13)15)8-2-3-9(17)11(19)6-8/h2-6,14,17-19H,7H2,1H3