methyl (3S,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)cyclohexene-1-carboxylate

Systemtic Name: methyl (3S,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)cyclohexene-1-carboxylate Openeye Name: methyl (3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexene-1-carboxylate CAS Name: (3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl (3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexene-1-carboxylate Traditional Name: (3S,4R,5S)-3,4-dihydroxy-5-methylol-cyclohexene-1-carboxylic acid methyl ester Formula: C9H14O5 MolecularWeight: 202.20446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(C(C(C1)CO)O)O

Isomeric SMILES

COC(=O)C1=C[C@@H]([C@@H]([C@@H](C1)CO)O)O

InChI

InChI=1S/C9H14O5/c1-14-9(13)5-2-6(4-10)8(12)7(11)3-5/h3,6-8,10-12H,2,4H2,1H3/t6-,7-,8+/m0/s1