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

Systemtic Name: 3-bromanyl-2-methyl-7-[3,4,5-tris(oxidanyl)thian-2-yl]oxy-chromen-4-one Openeye Name: 3-bromo-2-methyl-7-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)oxy-chromen-4-one CAS Name: 3-bromo-2-methyl-7-[(3,4,5-trihydroxy-2-thianyl)oxy]-1-benzopyran-4-one IUPAC Name: 3-bromo-2-methyl-7-(3,4,5-trihydroxythian-2-yl)oxychromen-4-one Traditional Name: 3-bromo-2-methyl-7-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)oxy-chromone Formula: C15H15BrO6S MolecularWeight: 403.245

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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)O)O)O)Br

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrO6S/c1-6-11(16)12(18)8-3-2-7(4-10(8)21-6)22-15-14(20)13(19)9(17)5-23-15/h2-4,9,13-15,17,19-20H,5H2,1H3