4-[[(1S,3S,4S,5R,6S,7S)-6,7-bis(oxidanyl)-3-oxidanylidene-8-oxa-3$l^{4}-thiabicyclo[3.2.1]octan-4-yl]sulfanyl]benzenecarbonitrile

Systemtic Name: 4-[[(1S,3S,4S,5R,6S,7S)-6,7-bis(oxidanyl)-3-oxidanylidene-8-oxa-3$l^{4}-thiabicyclo[3.2.1]octan-4-yl]sulfanyl]benzenecarbonitrile Openeye Name: 4-[[(1S,3S,4S,5R,6S,7S)-6,7-dihydroxy-3-oxo-8-oxa-3$l^{4}-thiabicyclo[3.2.1]octan-4-yl]sulfanyl]benzonitrile CAS Name: 4-[[(1S,3S,4S,5R,6S,7S)-6,7-dihydroxy-3-oxo-8-oxa-3$l^{4}-thiabicyclo[3.2.1]octan-4-yl]thio]benzonitrile IUPAC Name: 4-[[(1S,3S,4S,5R,6S,7S)-6,7-dihydroxy-3-oxo-8-oxa-3$l^{4}-thiabicyclo[3.2.1]octan-4-yl]sulfanyl]benzonitrile Traditional Name: 4-[[(1S,3S,4S,5R,6S,7S)-6,7-dihydroxy-3-keto-8-oxa-3$l^{4}-thiabicyclo[3.2.1]octan-4-yl]thio]benzonitrile Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(C(O2)C(S1=O)SC3=CC=C(C=C3)C#N)O)O

Isomeric SMILES

C1[C@@H]2[C@H]([C@@H]([C@@H](O2)[C@H]([S@]1=O)SC3=CC=C(C=C3)C#N)O)O

InChI

InChI=1S/C13H13NO4S2/c14-5-7-1-3-8(4-2-7)19-13-12-11(16)10(15)9(18-12)6-20(13)17/h1-4,9-13,15-16H,6H2/t9-,10-,11+,12-,13+,20+/m1/s1