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methyl 4-[6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-nitro-benzoate

methyl 4-[6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-nitro-benzoate

Systemtic Name:methyl 4-[6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-nitro-benzoate
Openeye Name:methyl 4-[4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-nitro-benzoate
CAS Name:4-[[4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-nitrobenzoic acid methyl ester
IUPAC Name:methyl 4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-nitrobenzoate
Traditional Name:4-(4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-3-nitro-benzoic acid methyl ester
Formula: C14H17NO9
MolecularWeight: 343.28608
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OC2CC(C(C(O2)CO)O)O)[N+](=O)[O-]


Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OC2CC(C(C(O2)CO)O)O)[N+](=O)[O-]


InChI

InChI=1S/C14H17NO9/c1-22-14(19)7-2-3-10(8(4-7)15(20)21)23-12-5-9(17)13(18)11(6-16)24-12/h2-4,9,11-13,16-18H,5-6H2,1H3


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