3-(2-azanyl-5-nitro-phenyl)sulfonylpropane-1-sulfonic acid

Systemtic Name: 3-(2-azanyl-5-nitro-phenyl)sulfonylpropane-1-sulfonic acid Openeye Name: 3-(2-amino-5-nitro-phenyl)sulfonylpropane-1-sulfonic acid CAS Name: 3-(2-amino-5-nitrophenyl)sulfonyl-1-propanesulfonic acid IUPAC Name: 3-(2-amino-5-nitrophenyl)sulfonylpropane-1-sulfonic acid Traditional Name: 3-(2-amino-5-nitro-phenyl)sulfonylpropane-1-sulfonic acid Formula: C9H12N2O7S2 MolecularWeight: 324.33078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O7S2/c10-8-3-2-7(11(12)13)6-9(8)19(14,15)4-1-5-20(16,17)18/h2-3,6H,1,4-5,10H2,(H,16,17,18)