6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-olate; 4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-olate; 4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-methyl-chromen-2-one; 3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-olate CAS Name: 7-hydroxy-4-methyl-1-benzopyran-2-one; 3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanolate IUPAC Name: 7-hydroxy-4-methylchromen-2-one; 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-olate Traditional Name: hymecromone; 3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-olate Formula: C16H19O9- MolecularWeight: 355.31666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)O.C(C1C(C(C(C(O1)[O-])O)O)O)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)O.C(C1C(C(C(C(O1)[O-])O)O)O)O

InChI

InChI=1S/C10H8O3.C6H11O6/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,11H,1H3;2-10H,1H2/q;-1