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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)C2=C(O1)C=C(C=C2)SC3C(C(C(CS3)O)O)O

Isomeric SMILES

CCC1=CC(=O)C2=C(O1)C=C(C=C2)SC3C(C(C(CS3)O)O)O

InChI

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