5-methoxy-6,6-dimethyl-oxane-2,3,4-triol; 5-methyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-methoxy-6,6-dimethyl-oxane-2,3,4-triol; 5-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 5-methoxy-6,6-dimethyl-tetrahydropyran-2,3,4-triol; 5-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 5-methoxy-6,6-dimethyloxane-2,3,4-triol; 5-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-methoxy-6,6-dimethyloxane-2,3,4-triol; 5-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-methoxy-6,6-dimethyl-tetrahydropyran-2,3,4-triol; 5-methyl-1H-pyrrole-2-carboxylic acid Formula: C14H23NO7 MolecularWeight: 317.33492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1)C(=O)O.CC1(C(C(C(C(O1)O)O)O)OC)C

Isomeric SMILES

CC1=CC=C(N1)C(=O)O.CC1(C(C(C(C(O1)O)O)O)OC)C

InChI

InChI=1S/C8H16O5.C6H7NO2/c1-8(2)6(12-3)4(9)5(10)7(11)13-8;1-4-2-3-5(7-4)6(8)9/h4-7,9-11H,1-3H3;2-3,7H,1H3,(H,8,9)