propyl 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: propyl 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: propyl 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid propyl ester IUPAC Name: propyl 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid propyl ester Formula: C9H10ClNO5S MolecularWeight: 279.6974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10ClNO5S/c1-2-5-16-17(14,15)7-3-4-8(10)9(6-7)11(12)13/h3-4,6H,2,5H2,1H3