methyl (E,5S)-3-methoxy-5-(1-oxidanidylpyridin-1-ium-2-yl)-5-oxidanyl-hex-2-enoate

Systemtic Name: methyl (E,5S)-3-methoxy-5-(1-oxidanidylpyridin-1-ium-2-yl)-5-oxidanyl-hex-2-enoate Openeye Name: methyl (E,5S)-5-hydroxy-3-methoxy-5-(1-oxidopyridin-1-ium-2-yl)hex-2-enoate CAS Name: (E,5S)-5-hydroxy-3-methoxy-5-(1-oxido-2-pyridin-1-iumyl)-2-hexenoic acid methyl ester IUPAC Name: methyl (E,5S)-5-hydroxy-3-methoxy-5-(1-oxidopyridin-1-ium-2-yl)hex-2-enoate Traditional Name: (E,5S)-5-hydroxy-3-methoxy-5-(1-oxidopyridin-1-ium-2-yl)hex-2-enoic acid methyl ester Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=CC(=O)OC)OC)(C1=CC=CC=[N+]1[O-])O

Isomeric SMILES

C[C@](C/C(=C\C(=O)OC)/OC)(C1=CC=CC=[N+]1[O-])O

InChI

InChI=1S/C13H17NO5/c1-13(16,11-6-4-5-7-14(11)17)9-10(18-2)8-12(15)19-3/h4-8,16H,9H2,1-3H3/b10-8+/t13-/m0/s1