2,3-dimethyl-7-[3,4,5-tris(oxidanyl)thian-2-yl]sulfanyl-chromen-4-one

Systemtic Name: 2,3-dimethyl-7-[3,4,5-tris(oxidanyl)thian-2-yl]sulfanyl-chromen-4-one Openeye Name: 2,3-dimethyl-7-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)sulfanyl-chromen-4-one CAS Name: 2,3-dimethyl-7-[(3,4,5-trihydroxy-2-thianyl)thio]-1-benzopyran-4-one IUPAC Name: 2,3-dimethyl-7-(3,4,5-trihydroxythian-2-yl)sulfanylchromen-4-one Traditional Name: 2,3-dimethyl-7-[(3,4,5-trihydroxytetrahydrothiopyran-2-yl)thio]chromone Formula: C16H18O5S2 MolecularWeight: 354.44112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC(=C2)SC3C(C(C(CS3)O)O)O)C

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC(=C2)SC3C(C(C(CS3)O)O)O)C

InChI

InChI=1S/C16H18O5S2/c1-7-8(2)21-12-5-9(3-4-10(12)13(7)18)23-16-15(20)14(19)11(17)6-22-16/h3-5,11,14-17,19-20H,6H2,1-2H3