4-(nitromethyl)-4-(phenylmethylsulfanyl)oxane

Systemtic Name: 4-(nitromethyl)-4-(phenylmethylsulfanyl)oxane Openeye Name: 4-benzylsulfanyl-4-(nitromethyl)tetrahydropyran CAS Name: 4-(nitromethyl)-4-(phenylmethylthio)oxane IUPAC Name: 4-benzylsulfanyl-4-(nitromethyl)oxane Traditional Name: 4-(benzylthio)-4-(nitromethyl)tetrahydropyran Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C[N+](=O)[O-])SCC2=CC=CC=C2

Isomeric SMILES

C1COCCC1(C[N+](=O)[O-])SCC2=CC=CC=C2

InChI

InChI=1S/C13H17NO3S/c15-14(16)11-13(6-8-17-9-7-13)18-10-12-4-2-1-3-5-12/h1-5H,6-11H2