2-azanyl-5-methoxy-benzene-1,4-disulfonic acid; 2,5-bis(azanyl)benzene-1,4-disulfonic acid

Systemtic Name: 2-azanyl-5-methoxy-benzene-1,4-disulfonic acid; 2,5-bis(azanyl)benzene-1,4-disulfonic acid Openeye Name: 2-amino-5-methoxy-benzene-1,4-disulfonic acid; 2,5-diaminobenzene-1,4-disulfonic acid CAS Name: 2-amino-5-methoxybenzene-1,4-disulfonic acid; 2,5-diaminobenzene-1,4-disulfonic acid IUPAC Name: 2-amino-5-methoxybenzene-1,4-disulfonic acid; 2,5-diaminobenzene-1,4-disulfonic acid Traditional Name: 2-amino-5-methoxy-benzene-1,4-disulfonic acid; 2,5-diaminobenzene-1,4-disulfonic acid Formula: C13H17N3O13S4 MolecularWeight: 551.54638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)S(=O)(=O)O)N)S(=O)(=O)O.C1=C(C(=CC(=C1S(=O)(=O)O)N)S(=O)(=O)O)N

Isomeric SMILES

COC1=C(C=C(C(=C1)S(=O)(=O)O)N)S(=O)(=O)O.C1=C(C(=CC(=C1S(=O)(=O)O)N)S(=O)(=O)O)N

InChI

InChI=1S/C7H9NO7S2.C6H8N2O6S2/c1-15-5-3-6(16(9,10)11)4(8)2-7(5)17(12,13)14;7-3-1-5(15(9,10)11)4(8)2-6(3)16(12,13)14/h2-3H,8H2,1H3,(H,9,10,11)(H,12,13,14);1-2H,7-8H2,(H,9,10,11)(H,12,13,14)