7-[5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxy-3-thiophen-2-yl-chromen-2-one

Systemtic Name: 7-[5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxy-3-thiophen-2-yl-chromen-2-one Openeye Name: 3-(2-thienyl)-7-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexoxy]chromen-2-one CAS Name: 3-thiophen-2-yl-7-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-benzopyran-2-one IUPAC Name: 3-thiophen-2-yl-7-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-2-one Traditional Name: 3-(2-thienyl)-7-(2,3,4-trihydroxy-5-methylol-cyclohexoxy)coumarin Formula: C20H20O7S MolecularWeight: 404.4336

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1OC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=CS4)O)O)O)CO

Isomeric SMILES

C1C(C(C(C(C1OC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=CS4)O)O)O)CO

InChI

InChI=1S/C20H20O7S/c21-9-11-7-15(18(23)19(24)17(11)22)26-12-4-3-10-6-13(16-2-1-5-28-16)20(25)27-14(10)8-12/h1-6,8,11,15,17-19,21-24H,7,9H2