2-(2-azanylethyl)-5-(2-phosphonatoethylsulfonyl)benzenesulfonic acid

Systemtic Name: 2-(2-azanylethyl)-5-(2-phosphonatoethylsulfonyl)benzenesulfonic acid Openeye Name: 2-(2-aminoethyl)-5-(2-phosphonatoethylsulfonyl)benzenesulfonic acid CAS Name: 2-(2-aminoethyl)-5-(2-phosphonatoethylsulfonyl)benzenesulfonic acid IUPAC Name: 2-(2-aminoethyl)-5-(2-phosphonatoethylsulfonyl)benzenesulfonic acid Traditional Name: 2-(2-aminoethyl)-5-(2-phosphonatoethylsulfonyl)besylic acid Formula: C10H14NO8PS2-2 MolecularWeight: 371.323821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16NO8PS2/c11-4-3-8-1-2-9(7-10(8)22(17,18)19)21(15,16)6-5-20(12,13)14/h1-2,7H,3-6,11H2,(H2,12,13,14)(H,17,18,19)/p-2