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

Systemtic Name: 3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-4-phenylmethoxy-chromen-2-one Openeye Name: 4-benzyloxy-7-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one CAS Name: 7-hydroxy-4-phenylmethoxy-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-phenylmethoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one Traditional Name: 4-benzoxy-7-hydroxy-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-coumarin Formula: C22H22O10 MolecularWeight: 446.40408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C(=O)OC3=C2C=CC(=C3)O)OC4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C(=O)OC3=C2C=CC(=C3)O)OC4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C22H22O10/c23-9-15-16(25)17(26)18(27)22(31-15)32-20-19(29-10-11-4-2-1-3-5-11)13-7-6-12(24)8-14(13)30-21(20)28/h1-8,15-18,22-27H,9-10H2