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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(CS3)O)O)O

Isomeric SMILES

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(CS3)O)O)O

InChI

InChI=1S/C17H20O6S/c1-8(2)11-6-14(19)23-13-5-9(3-4-10(11)13)22-17-16(21)15(20)12(18)7-24-17/h3-6,8,12,15-18,20-21H,7H2,1-2H3