(4-azanyl-3-nitro-phenyl) butane-1-sulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) butane-1-sulfonate Openeye Name: (4-amino-3-nitro-phenyl) butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: (4-amino-3-nitrophenyl) butane-1-sulfonate Traditional Name: butane-1-sulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C10H14N2O5S MolecularWeight: 274.29356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC(=C(C=C1)N)[N+](=O)[O-]

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC(=C(C=C1)N)[N+](=O)[O-]

InChI

InChI=1S/C10H14N2O5S/c1-2-3-6-18(15,16)17-8-4-5-9(11)10(7-8)12(13)14/h4-5,7H,2-3,6,11H2,1H3