3-azanyl-4-(2-phosphonatoethylsulfonyl)benzenesulfonic acid

Systemtic Name: 3-azanyl-4-(2-phosphonatoethylsulfonyl)benzenesulfonic acid Openeye Name: 3-amino-4-(2-phosphonatoethylsulfonyl)benzenesulfonic acid CAS Name: 3-amino-4-(2-phosphonatoethylsulfonyl)benzenesulfonic acid IUPAC Name: 3-amino-4-(2-phosphonatoethylsulfonyl)benzenesulfonic acid Traditional Name: 3-amino-4-(2-phosphonatoethylsulfonyl)besylic acid Formula: C8H10NO8PS2-2 MolecularWeight: 343.270661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)N)S(=O)(=O)CCP(=O)([O-])[O-]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)N)S(=O)(=O)CCP(=O)([O-])[O-]

InChI

InChI=1S/C8H12NO8PS2/c9-7-5-6(20(15,16)17)1-2-8(7)19(13,14)4-3-18(10,11)12/h1-2,5H,3-4,9H2,(H2,10,11,12)(H,15,16,17)/p-2