4-ethyl-7-[(3R,4S)-3,4,5-tris(oxidanyl)thian-2-yl]oxy-chromen-2-one

Systemtic Name: 4-ethyl-7-[(3R,4S)-3,4,5-tris(oxidanyl)thian-2-yl]oxy-chromen-2-one Openeye Name: 4-ethyl-7-[(3R,4S)-3,4,5-trihydroxytetrahydrothiopyran-2-yl]oxy-chromen-2-one CAS Name: 4-ethyl-7-[[(3R,4S)-3,4,5-trihydroxy-2-thianyl]oxy]-1-benzopyran-2-one IUPAC Name: 4-ethyl-7-[(3R,4S)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one Traditional Name: 4-ethyl-7-[(3R,4S)-3,4,5-trihydroxytetrahydrothiopyran-2-yl]oxy-coumarin Formula: C16H18O6S MolecularWeight: 338.37552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(CS3)O)O)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OC3[C@@H]([C@H](C(CS3)O)O)O

InChI

InChI=1S/C16H18O6S/c1-2-8-5-13(18)22-12-6-9(3-4-10(8)12)21-16-15(20)14(19)11(17)7-23-16/h3-6,11,14-17,19-20H,2,7H2,1H3/t11?,14-,15+,16?/m0/s1