[4,5-diacetyloxy-6-(3-bromanyl-2-methyl-4-oxidanylidene-chromen-7-yl)oxy-thian-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-6-(3-bromanyl-2-methyl-4-oxidanylidene-chromen-7-yl)oxy-thian-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-(3-bromo-2-methyl-4-oxo-chromen-7-yl)oxy-tetrahydrothiopyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-[(3-bromo-2-methyl-4-oxo-1-benzopyran-7-yl)oxy]-3-thianyl] ester IUPAC Name: [4,5-diacetyloxy-6-(3-bromo-2-methyl-4-oxochromen-7-yl)oxythian-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-(3-bromo-4-keto-2-methyl-chromen-7-yl)oxy-tetrahydrothiopyran-3-yl] ester Formula: C21H21BrO9S MolecularWeight: 529.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC3C(C(C(CS3)OC(=O)C)OC(=O)C)OC(=O)C)Br

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC3C(C(C(CS3)OC(=O)C)OC(=O)C)OC(=O)C)Br

InChI

InChI=1S/C21H21BrO9S/c1-9-17(22)18(26)14-6-5-13(7-15(14)27-9)31-21-20(30-12(4)25)19(29-11(3)24)16(8-32-21)28-10(2)23/h5-7,16,19-21H,8H2,1-4H3