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

Systemtic Name: 3-chloranyl-4-methyl-7-[3,4,5-tris(oxidanyl)thian-2-yl]oxy-chromen-2-one Openeye Name: 3-chloro-4-methyl-7-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)oxy-chromen-2-one CAS Name: 3-chloro-4-methyl-7-[(3,4,5-trihydroxy-2-thianyl)oxy]-1-benzopyran-2-one IUPAC Name: 3-chloro-4-methyl-7-(3,4,5-trihydroxythian-2-yl)oxychromen-2-one Traditional Name: 3-chloro-4-methyl-7-(3,4,5-trihydroxytetrahydrothiopyran-2-yl)oxy-coumarin Formula: C15H15ClO6S MolecularWeight: 358.794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC3C(C(C(CS3)O)O)O)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC3C(C(C(CS3)O)O)O)Cl

InChI

InChI=1S/C15H15ClO6S/c1-6-8-3-2-7(4-10(8)22-14(20)11(6)16)21-15-13(19)12(18)9(17)5-23-15/h2-4,9,12-13,15,17-19H,5H2,1H3