5-chloranyl-2-methoxy-4-(methylamino)benzoic acid; sulfuric acid

Systemtic Name: 5-chloranyl-2-methoxy-4-(methylamino)benzoic acid; sulfuric acid Openeye Name: 5-chloro-2-methoxy-4-(methylamino)benzoic acid; sulfuric acid CAS Name: 5-chloro-2-methoxy-4-(methylamino)benzoic acid; sulfuric acid IUPAC Name: 5-chloro-2-methoxy-4-(methylamino)benzoic acid; sulfuric acid Traditional Name: 5-chloro-2-methoxy-4-(methylamino)benzoic acid; sulfuric acid Formula: C9H12ClNO7S MolecularWeight: 313.71208

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C(=C1)OC)C(=O)O)Cl.OS(=O)(=O)O

Isomeric SMILES

CNC1=C(C=C(C(=C1)OC)C(=O)O)Cl.OS(=O)(=O)O

InChI

InChI=1S/C9H10ClNO3.H2O4S/c1-11-7-4-8(14-2)5(9(12)13)3-6(7)10;1-5(2,3)4/h3-4,11H,1-2H3,(H,12,13);(H2,1,2,3,4)