2-azanylbenzenesulfonic acid; 2-azanyl-4-methyl-benzenesulfonic acid

Systemtic Name: 2-azanylbenzenesulfonic acid; 2-azanyl-4-methyl-benzenesulfonic acid Openeye Name: 2-aminobenzenesulfonic acid; 2-amino-4-methyl-benzenesulfonic acid CAS Name: 2-aminobenzenesulfonic acid; 2-amino-4-methylbenzenesulfonic acid IUPAC Name: 2-aminobenzenesulfonic acid; 2-amino-4-methylbenzenesulfonic acid Traditional Name: 2-aminobesylic acid; 2-amino-4-methyl-besylic acid Formula: C13H16N2O6S2 MolecularWeight: 360.40594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)N.C1=CC=C(C(=C1)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)N.C1=CC=C(C(=C1)N)S(=O)(=O)O

InChI

InChI=1S/C7H9NO3S.C6H7NO3S/c1-5-2-3-7(6(8)4-5)12(9,10)11;7-5-3-1-2-4-6(5)11(8,9)10/h2-4H,8H2,1H3,(H,9,10,11);1-4H,7H2,(H,8,9,10)