(1R,4S,8S)-4-(4-methylphenyl)sulfanyl-8-nitro-2-oxabicyclo[2.2.2]oct-5-en-3-one

Systemtic Name: (1R,4S,8S)-4-(4-methylphenyl)sulfanyl-8-nitro-2-oxabicyclo[2.2.2]oct-5-en-3-one Openeye Name: (1R,4S,8S)-8-nitro-4-(p-tolylsulfanyl)-2-oxabicyclo[2.2.2]oct-5-en-3-one CAS Name: (1R,4S,8S)-4-[(4-methylphenyl)thio]-8-nitro-2-oxabicyclo[2.2.2]oct-5-en-3-one IUPAC Name: (1R,4S,8S)-4-(4-methylphenyl)sulfanyl-8-nitro-2-oxabicyclo[2.2.2]oct-5-en-3-one Traditional Name: (1R,4S,8S)-8-nitro-4-(p-tolylthio)-2-oxabicyclo[2.2.2]oct-5-en-3-one Formula: C14H13NO4S MolecularWeight: 291.32232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC23C=CC(CC2[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@]23C=C[C@@H](C[C@@H]2[N+](=O)[O-])OC3=O

InChI

InChI=1S/C14H13NO4S/c1-9-2-4-11(5-3-9)20-14-7-6-10(19-13(14)16)8-12(14)15(17)18/h2-7,10,12H,8H2,1H3/t10-,12-,14-/m0/s1