4-methyl-3-phenyl-7-[3,4,5-tris(oxidanyl)thian-2-yl]oxy-chromen-2-one

Systemtic Name: 4-methyl-3-phenyl-7-[3,4,5-tris(oxidanyl)thian-2-yl]oxy-chromen-2-one Openeye Name: 4-methyl-3-phenyl-7-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)oxy-chromen-2-one CAS Name: 4-methyl-3-phenyl-7-[(3,4,5-trihydroxy-2-thianyl)oxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-3-phenyl-7-(3,4,5-trihydroxythian-2-yl)oxychromen-2-one Traditional Name: 4-methyl-3-phenyl-7-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)oxy-coumarin Formula: C21H20O6S MolecularWeight: 400.4449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC3C(C(C(CS3)O)O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC3C(C(C(CS3)O)O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H20O6S/c1-11-14-8-7-13(26-21-19(24)18(23)15(22)10-28-21)9-16(14)27-20(25)17(11)12-5-3-2-4-6-12/h2-9,15,18-19,21-24H,10H2,1H3