4-hexoxy-7-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-3-oxidanyl-chromen-2-one

Systemtic Name: 4-hexoxy-7-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-3-oxidanyl-chromen-2-one Openeye Name: 4-hexoxy-3-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-2-one CAS Name: 4-hexoxy-3-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-2-one IUPAC Name: 4-hexoxy-3-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one Traditional Name: 4-hexoxy-3-hydroxy-7-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)coumarin Formula: C21H28O9 MolecularWeight: 424.44162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=O)OC2=C1C=CC(=C2)C3C(C(C(C(O3)CO)O)O)O)O

Isomeric SMILES

CCCCCCOC1=C(C(=O)OC2=C1C=CC(=C2)C3C(C(C(C(O3)CO)O)O)O)O

InChI

InChI=1S/C21H28O9/c1-2-3-4-5-8-28-20-12-7-6-11(9-13(12)30-21(27)18(20)26)19-17(25)16(24)15(23)14(10-22)29-19/h6-7,9,14-17,19,22-26H,2-5,8,10H2,1H3