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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)SC3C(C(C(CS3)O)O)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)SC3C(C(C(CS3)O)O)O

InChI

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