N-[6-(hydroxymethyl)-2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxan-3-yl]ethanimidate dihydrate

Systemtic Name: N-[6-(hydroxymethyl)-2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxan-3-yl]ethanimidate dihydrate Openeye Name: N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxo-chromen-7-yl)oxy-tetrahydropyran-3-yl]ethanimidate dihydrate CAS Name: N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-3-oxanyl]ethanimidate dihydrate IUPAC Name: N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]ethanimidate dihydrate Traditional Name: N-[4,5-dihydroxy-2-(2-keto-4-methyl-chromen-7-yl)oxy-6-methylol-tetrahydropyran-3-yl]acetimidate dihydrate Formula: C18H24NO10- MolecularWeight: 414.38386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)N=C(C)[O-].O.O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)N=C(C)[O-].O.O

InChI

InChI=1S/C18H21NO8.2H2O/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18;;/h3-6,13,15-18,20,23-24H,7H2,1-2H3,(H,19,21);2*1H2/p-1