3,5-bis(azanyl)-2-methyl-benzoic acid sulfate

Systemtic Name: 3,5-bis(azanyl)-2-methyl-benzoic acid sulfate Openeye Name: 3,5-diamino-2-methyl-benzoic acid sulfate CAS Name: 3,5-diamino-2-methylbenzoic acid sulfate IUPAC Name: 3,5-diamino-2-methylbenzoic acid sulfate Traditional Name: 3,5-diamino-2-methyl-benzoic acid sulfate Formula: C8H10N2O6S-2 MolecularWeight: 262.2398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)O)N)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)O)N)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C8H10N2O2.H2O4S/c1-4-6(8(11)12)2-5(9)3-7(4)10;1-5(2,3)4/h2-3H,9-10H2,1H3,(H,11,12);(H2,1,2,3,4)/p-2