3-azanyl-2-methyl-6-(methylamino)-5-sulfo-benzoic acid

Systemtic Name: 3-azanyl-2-methyl-6-(methylamino)-5-sulfo-benzoic acid Openeye Name: 3-amino-2-methyl-6-(methylamino)-5-sulfo-benzoic acid CAS Name: 3-amino-2-methyl-6-(methylamino)-5-sulfobenzoic acid IUPAC Name: 3-amino-2-methyl-6-(methylamino)-5-sulfobenzoic acid Traditional Name: 3-amino-2-methyl-6-(methylamino)-5-sulfo-benzoic acid Formula: C9H12N2O5S MolecularWeight: 260.26698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1N)S(=O)(=O)O)NC)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1N)S(=O)(=O)O)NC)C(=O)O

InChI

InChI=1S/C9H12N2O5S/c1-4-5(10)3-6(17(14,15)16)8(11-2)7(4)9(12)13/h3,11H,10H2,1-2H3,(H,12,13)(H,14,15,16)