(3S,5S)-5-(4-oxidanylidenebutyl)-3-phenyl-1,2,4-trioxolane-3-carbonitrile

Systemtic Name: (3S,5S)-5-(4-oxidanylidenebutyl)-3-phenyl-1,2,4-trioxolane-3-carbonitrile Openeye Name: (3S,5S)-5-(4-oxobutyl)-3-phenyl-1,2,4-trioxolane-3-carbonitrile CAS Name: (3S,5S)-5-(4-oxobutyl)-3-phenyl-1,2,4-trioxolane-3-carbonitrile IUPAC Name: (3S,5S)-5-(4-oxobutyl)-3-phenyl-1,2,4-trioxolane-3-carbonitrile Traditional Name: (3S,5S)-5-(4-ketobutyl)-3-phenyl-1,2,4-trioxolane-3-carbonitrile Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(OC(OO2)CCCC=O)C#N

Isomeric SMILES

C1=CC=C(C=C1)[C@@]2(O[C@@H](OO2)CCCC=O)C#N

InChI

InChI=1S/C13H13NO4/c14-10-13(11-6-2-1-3-7-11)16-12(17-18-13)8-4-5-9-15/h1-3,6-7,9,12H,4-5,8H2/t12-,13+/m0/s1