2,5-bis(azanyl)benzene-1,3-disulfonic acid; 4-methylbenzene-1,3-diamine

Systemtic Name: 2,5-bis(azanyl)benzene-1,3-disulfonic acid; 4-methylbenzene-1,3-diamine Openeye Name: 2,5-diaminobenzene-1,3-disulfonic acid; 4-methylbenzene-1,3-diamine CAS Name: 2,5-diaminobenzene-1,3-disulfonic acid; 4-methylbenzene-1,3-diamine IUPAC Name: 2,5-diaminobenzene-1,3-disulfonic acid; 4-methylbenzene-1,3-diamine Traditional Name: (3-amino-4-methyl-phenyl)amine; 2,5-diaminobenzene-1,3-disulfonic acid Formula: C13H18N4O6S2 MolecularWeight: 390.43522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)N.C1=C(C=C(C(=C1S(=O)(=O)O)N)S(=O)(=O)O)N

Isomeric SMILES

CC1=C(C=C(C=C1)N)N.C1=C(C=C(C(=C1S(=O)(=O)O)N)S(=O)(=O)O)N

InChI

InChI=1S/C7H10N2.C6H8N2O6S2/c1-5-2-3-6(8)4-7(5)9;7-3-1-4(15(9,10)11)6(8)5(2-3)16(12,13)14/h2-4H,8-9H2,1H3;1-2H,7-8H2,(H,9,10,11)(H,12,13,14)