5-[[(1R)-1-(3-nitrophenyl)ethyl]sulfanylmethyl]-1,3-benzodioxole

Systemtic Name: 5-[[(1R)-1-(3-nitrophenyl)ethyl]sulfanylmethyl]-1,3-benzodioxole Openeye Name: 5-[[(1R)-1-(3-nitrophenyl)ethyl]sulfanylmethyl]-1,3-benzodioxole CAS Name: 5-[[[(1R)-1-(3-nitrophenyl)ethyl]thio]methyl]-1,3-benzodioxole IUPAC Name: 5-[[(1R)-1-(3-nitrophenyl)ethyl]sulfanylmethyl]-1,3-benzodioxole Traditional Name: 5-[[[(1R)-1-(3-nitrophenyl)ethyl]thio]methyl]-1,3-benzodioxole Formula: C16H15NO4S MolecularWeight: 317.3596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])SCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H15NO4S/c1-11(13-3-2-4-14(8-13)17(18)19)22-9-12-5-6-15-16(7-12)21-10-20-15/h2-8,11H,9-10H2,1H3/t11-/m1/s1