ethyl (E,4R,5S)-4,5-bis(oxidanyl)-6-(1-oxidanyl-3-oxidanylidene-1H-isoindol-2-yl)hex-2-enoate

Systemtic Name: ethyl (E,4R,5S)-4,5-bis(oxidanyl)-6-(1-oxidanyl-3-oxidanylidene-1H-isoindol-2-yl)hex-2-enoate Openeye Name: ethyl (E,4R,5S)-4,5-dihydroxy-6-(1-hydroxy-3-oxo-isoindolin-2-yl)hex-2-enoate CAS Name: (E,4R,5S)-4,5-dihydroxy-6-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E,4R,5S)-4,5-dihydroxy-6-(1-hydroxy-3-oxo-1H-isoindol-2-yl)hex-2-enoate Traditional Name: (E,4R,5S)-4,5-dihydroxy-6-(1-hydroxy-3-keto-isoindolin-2-yl)hex-2-enoic acid ethyl ester Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(C(CN1C(C2=CC=CC=C2C1=O)O)O)O

Isomeric SMILES

CCOC(=O)/C=C/[C@H]([C@H](CN1C(C2=CC=CC=C2C1=O)O)O)O

InChI

InChI=1S/C16H19NO6/c1-2-23-14(20)8-7-12(18)13(19)9-17-15(21)10-5-3-4-6-11(10)16(17)22/h3-8,12-13,15,18-19,21H,2,9H2,1H3/b8-7+/t12-,13+,15?/m1/s1