3-chloranyl-2-nitro-5-sulfonyl-cyclohexa-1,3-diene

Systemtic Name: 3-chloranyl-2-nitro-5-sulfonyl-cyclohexa-1,3-diene Openeye Name: 3-chloro-2-nitro-5-sulfonyl-cyclohexa-1,3-diene CAS Name: 3-chloro-2-nitro-5-sulfonylcyclohexa-1,3-diene IUPAC Name: 3-chloro-2-nitro-5-sulfonylcyclohexa-1,3-diene Traditional Name: 3-chloro-2-nitro-5-sulfonyl-cyclohexa-1,3-diene Formula: C6H4ClNO4S MolecularWeight: 221.61826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(=CC1=S(=O)=O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C=C(C(=CC1=S(=O)=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C6H4ClNO4S/c7-5-3-4(13(11)12)1-2-6(5)8(9)10/h2-3H,1H2