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

Systemtic Name: 4-propyl-7-[3,4,5-tris(oxidanyl)thian-2-yl]sulfanyl-chromen-2-one Openeye Name: 4-propyl-7-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)sulfanyl-chromen-2-one CAS Name: 4-propyl-7-[(3,4,5-trihydroxy-2-thianyl)thio]-1-benzopyran-2-one IUPAC Name: 4-propyl-7-(3,4,5-trihydroxythian-2-yl)sulfanylchromen-2-one Traditional Name: 4-propyl-7-[(3,4,5-trihydroxytetrahydrothiopyran-2-yl)thio]coumarin Formula: C17H20O5S2 MolecularWeight: 368.4677

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)SC3C(C(C(CS3)O)O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)SC3C(C(C(CS3)O)O)O

InChI

InChI=1S/C17H20O5S2/c1-2-3-9-6-14(19)22-13-7-10(4-5-11(9)13)24-17-16(21)15(20)12(18)8-23-17/h4-7,12,15-18,20-21H,2-3,8H2,1H3