1-(1-butylsulfanyl-2-nitro-butyl)-4-chloranyl-benzene

Systemtic Name: 1-(1-butylsulfanyl-2-nitro-butyl)-4-chloranyl-benzene Openeye Name: 1-(1-butylsulfanyl-2-nitro-butyl)-4-chloro-benzene CAS Name: 1-[1-(butylthio)-2-nitrobutyl]-4-chlorobenzene IUPAC Name: 1-(1-butylsulfanyl-2-nitrobutyl)-4-chlorobenzene Traditional Name: 1-[1-(butylthio)-2-nitro-butyl]-4-chloro-benzene Formula: C14H20ClNO2S MolecularWeight: 301.8321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(C1=CC=C(C=C1)Cl)C(CC)[N+](=O)[O-]

Isomeric SMILES

CCCCSC(C1=CC=C(C=C1)Cl)C(CC)[N+](=O)[O-]

InChI

InChI=1S/C14H20ClNO2S/c1-3-5-10-19-14(13(4-2)16(17)18)11-6-8-12(15)9-7-11/h6-9,13-14H,3-5,10H2,1-2H3