4-azanyl-3-methoxy-benzenesulfonic acid; 5-azanyl-2-methoxy-benzenesulfonic acid

Systemtic Name: 4-azanyl-3-methoxy-benzenesulfonic acid; 5-azanyl-2-methoxy-benzenesulfonic acid Openeye Name: 4-amino-3-methoxy-benzenesulfonic acid; 5-amino-2-methoxy-benzenesulfonic acid CAS Name: 4-amino-3-methoxybenzenesulfonic acid; 5-amino-2-methoxybenzenesulfonic acid IUPAC Name: 4-amino-3-methoxybenzenesulfonic acid; 5-amino-2-methoxybenzenesulfonic acid Traditional Name: 4-amino-3-methoxy-besylic acid; 5-amino-2-methoxy-besylic acid Formula: C14H18N2O8S2 MolecularWeight: 406.43132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)S(=O)(=O)O.COC1=C(C=CC(=C1)S(=O)(=O)O)N

Isomeric SMILES

COC1=C(C=C(C=C1)N)S(=O)(=O)O.COC1=C(C=CC(=C1)S(=O)(=O)O)N

InChI

InChI=1S/2C7H9NO4S/c1-12-7-4-5(13(9,10)11)2-3-6(7)8;1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2*2-4H,8H2,1H3,(H,9,10,11)