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

Systemtic Name: 3,4-bis[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-3,4-bis[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-2-one CAS Name: 7-hydroxy-3,4-bis[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3,4-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one Traditional Name: 7-hydroxy-3,4-bis(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)coumarin Formula: C21H26O13 MolecularWeight: 486.42334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC(=O)C(=C2C3C(C(C(C(O3)CO)O)O)O)C4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

C1=CC2=C(C=C1O)OC(=O)C(=C2C3C(C(C(C(O3)CO)O)O)O)C4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C21H26O13/c22-4-9-13(25)15(27)17(29)19(32-9)11-7-2-1-6(24)3-8(7)34-21(31)12(11)20-18(30)16(28)14(26)10(5-23)33-20/h1-3,9-10,13-20,22-30H,4-5H2