6-(hydroxymethyl)oxane-2,3,4,5-tetrol; 3-phenylchromen-4-one

Systemtic Name: 6-(hydroxymethyl)oxane-2,3,4,5-tetrol; 3-phenylchromen-4-one Openeye Name: 6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; 3-phenylchromen-4-one CAS Name: 6-(hydroxymethyl)oxane-2,3,4,5-tetrol; 3-phenyl-1-benzopyran-4-one IUPAC Name: 6-(hydroxymethyl)oxane-2,3,4,5-tetrol; 3-phenylchromen-4-one Traditional Name: isoflavone; 6-methyloltetrahydropyran-2,3,4,5-tetrol Formula: C21H22O8 MolecularWeight: 402.39458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O.C(C1C(C(C(C(O1)O)O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O.C(C1C(C(C(C(O1)O)O)O)O)O

InChI

InChI=1S/C15H10O2.C6H12O6/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11;7-1-2-3(8)4(9)5(10)6(11)12-2/h1-10H;2-11H,1H2