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

Systemtic Name: 4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-7-propan-2-yloxy-chromen-2-one Openeye Name: 3-hydroxy-7-isopropoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one CAS Name: 3-hydroxy-7-propan-2-yloxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-one IUPAC Name: 3-hydroxy-7-propan-2-yloxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one Traditional Name: 3-hydroxy-7-isopropoxy-4-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-coumarin Formula: C18H22O10 MolecularWeight: 398.36128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)C(=C(C(=O)O2)O)OC3C(C(C(C(O3)CO)O)O)O

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)C(=C(C(=O)O2)O)OC3C(C(C(C(O3)CO)O)O)O

InChI

InChI=1S/C18H22O10/c1-7(2)25-8-3-4-9-10(5-8)26-17(24)15(23)16(9)28-18-14(22)13(21)12(20)11(6-19)27-18/h3-5,7,11-14,18-23H,6H2,1-2H3