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

Systemtic Name: 4-propyl-7-[3,4,5-tris(oxidanyl)thian-2-yl]oxy-chromen-2-one Openeye Name: 4-propyl-7-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)oxy-chromen-2-one CAS Name: 4-propyl-7-[(3,4,5-trihydroxy-2-thianyl)oxy]-1-benzopyran-2-one IUPAC Name: 4-propyl-7-(3,4,5-trihydroxythian-2-yl)oxychromen-2-one Traditional Name: 4-propyl-7-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)oxy-coumarin Formula: C17H20O6S MolecularWeight: 352.4021

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(CS3)O)O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(CS3)O)O)O

InChI

InChI=1S/C17H20O6S/c1-2-3-9-6-14(19)23-13-7-10(4-5-11(9)13)22-17-16(21)15(20)12(18)8-24-17/h4-7,12,15-18,20-21H,2-3,8H2,1H3