3-azanyl-4-methoxy-benzenesulfonic acid; 3-azanyl-4-methyl-benzenesulfonic acid

Systemtic Name: 3-azanyl-4-methoxy-benzenesulfonic acid; 3-azanyl-4-methyl-benzenesulfonic acid Openeye Name: 3-amino-4-methoxy-benzenesulfonic acid; 3-amino-4-methyl-benzenesulfonic acid CAS Name: 3-amino-4-methoxybenzenesulfonic acid; 3-amino-4-methylbenzenesulfonic acid IUPAC Name: 3-amino-4-methoxybenzenesulfonic acid; 3-amino-4-methylbenzenesulfonic acid Traditional Name: 3-amino-4-methoxy-besylic acid; 3-amino-4-methyl-besylic acid Formula: C14H18N2O7S2 MolecularWeight: 390.43192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)N.COC1=C(C=C(C=C1)S(=O)(=O)O)N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)N.COC1=C(C=C(C=C1)S(=O)(=O)O)N

InChI

InChI=1S/C7H9NO4S.C7H9NO3S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11;1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11);2-4H,8H2,1H3,(H,9,10,11)