2-hexylsulfanyl-5-nitro-benzaldehyde

Systemtic Name: 2-hexylsulfanyl-5-nitro-benzaldehyde Openeye Name: 2-hexylsulfanyl-5-nitro-benzaldehyde CAS Name: 2-(hexylthio)-5-nitrobenzaldehyde IUPAC Name: 2-hexylsulfanyl-5-nitrobenzaldehyde Traditional Name: 2-(hexylthio)-5-nitro-benzaldehyde Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C=C(C=C1)[N+](=O)[O-])C=O

Isomeric SMILES

CCCCCCSC1=C(C=C(C=C1)[N+](=O)[O-])C=O

InChI

InChI=1S/C13H17NO3S/c1-2-3-4-5-8-18-13-7-6-12(14(16)17)9-11(13)10-15/h6-7,9-10H,2-5,8H2,1H3