2-azanyl-5-methyl-benzene-1,4-disulfonic acid; 4-azanyl-5-methyl-benzene-1,3-disulfonic acid

Systemtic Name: 2-azanyl-5-methyl-benzene-1,4-disulfonic acid; 4-azanyl-5-methyl-benzene-1,3-disulfonic acid Openeye Name: 2-amino-5-methyl-benzene-1,4-disulfonic acid; 4-amino-5-methyl-benzene-1,3-disulfonic acid CAS Name: 2-amino-5-methylbenzene-1,4-disulfonic acid; 4-amino-5-methylbenzene-1,3-disulfonic acid IUPAC Name: 2-amino-5-methylbenzene-1,4-disulfonic acid; 4-amino-5-methylbenzene-1,3-disulfonic acid Traditional Name: 2-amino-5-methyl-benzene-1,4-disulfonic acid; 4-amino-5-methyl-benzene-1,3-disulfonic acid Formula: C14H18N2O12S4 MolecularWeight: 534.55892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N)S(=O)(=O)O)S(=O)(=O)O.CC1=CC(=C(C=C1S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1N)S(=O)(=O)O)S(=O)(=O)O.CC1=CC(=C(C=C1S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/2C7H9NO6S2/c1-4-2-7(16(12,13)14)5(8)3-6(4)15(9,10)11;1-4-2-5(15(9,10)11)3-6(7(4)8)16(12,13)14/h2*2-3H,8H2,1H3,(H,9,10,11)(H,12,13,14)