(3S,5S)-5-[2-(2-methanoylphenyl)ethyl]-3-methyl-1,2,4-trioxolane-3-carbonitrile

Systemtic Name: (3S,5S)-5-[2-(2-methanoylphenyl)ethyl]-3-methyl-1,2,4-trioxolane-3-carbonitrile Openeye Name: (3S,5S)-5-[2-(2-formylphenyl)ethyl]-3-methyl-1,2,4-trioxolane-3-carbonitrile CAS Name: (3S,5S)-5-[2-(2-formylphenyl)ethyl]-3-methyl-1,2,4-trioxolane-3-carbonitrile IUPAC Name: (3S,5S)-5-[2-(2-formylphenyl)ethyl]-3-methyl-1,2,4-trioxolane-3-carbonitrile Traditional Name: (3S,5S)-5-[2-(2-formylphenyl)ethyl]-3-methyl-1,2,4-trioxolane-3-carbonitrile Formula: C13H13NO4 MolecularWeight: 247.24662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(OO1)CCC2=CC=CC=C2C=O)C#N

Isomeric SMILES

C[C@@]1(O[C@@H](OO1)CCC2=CC=CC=C2C=O)C#N

InChI

InChI=1S/C13H13NO4/c1-13(9-14)16-12(17-18-13)7-6-10-4-2-3-5-11(10)8-15/h2-5,8,12H,6-7H2,1H3/t12-,13-/m0/s1