1-(1H-indol-3-yl)-2-nitro-ethanesulfonate

Systemtic Name: 1-(1H-indol-3-yl)-2-nitro-ethanesulfonate Openeye Name: 1-(1H-indol-3-yl)-2-nitro-ethanesulfonate CAS Name: 1-(1H-indol-3-yl)-2-nitroethanesulfonate IUPAC Name: 1-(1H-indol-3-yl)-2-nitroethanesulfonate Traditional Name: 1-(1H-indol-3-yl)-2-nitro-ethanesulfonate Formula: C10H9N2O5S- MolecularWeight: 269.25386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(C[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(C[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C10H10N2O5S/c13-12(14)6-10(18(15,16)17)8-5-11-9-4-2-1-3-7(8)9/h1-5,10-11H,6H2,(H,15,16,17)/p-1