2-butylsulfanyl-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-butylsulfanyl-1-(3-nitrophenyl)ethanone Openeye Name: 2-butylsulfanyl-1-(3-nitrophenyl)ethanone CAS Name: 2-(butylthio)-1-(3-nitrophenyl)ethanone IUPAC Name: 2-butylsulfanyl-1-(3-nitrophenyl)ethanone Traditional Name: 2-(butylthio)-1-(3-nitrophenyl)ethanone Formula: C12H15NO3S MolecularWeight: 253.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCSCC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO3S/c1-2-3-7-17-9-12(14)10-5-4-6-11(8-10)13(15)16/h4-6,8H,2-3,7,9H2,1H3