4-methyl-6-[3,4,5-tris(oxidanyl)thian-2-yl]sulfanyl-chromen-2-one

Systemtic Name: 4-methyl-6-[3,4,5-tris(oxidanyl)thian-2-yl]sulfanyl-chromen-2-one Openeye Name: 4-methyl-6-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)sulfanyl-chromen-2-one CAS Name: 4-methyl-6-[(3,4,5-trihydroxy-2-thianyl)thio]-1-benzopyran-2-one IUPAC Name: 4-methyl-6-(3,4,5-trihydroxythian-2-yl)sulfanylchromen-2-one Traditional Name: 4-methyl-6-[(3,4,5-trihydroxytetrahydrothiopyran-2-yl)thio]coumarin Formula: C15H16O5S2 MolecularWeight: 340.41454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=C(C=C2)SC3C(C(C(CS3)O)O)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=C(C=C2)SC3C(C(C(CS3)O)O)O

InChI

InChI=1S/C15H16O5S2/c1-7-4-12(17)20-11-3-2-8(5-9(7)11)22-15-14(19)13(18)10(16)6-21-15/h2-5,10,13-16,18-19H,6H2,1H3