benzene-1,3-diamine; benzene-1,3-dicarboxylic acid; 2,4-bis(azanyl)benzenesulfonic acid

Systemtic Name: benzene-1,3-diamine; benzene-1,3-dicarboxylic acid; 2,4-bis(azanyl)benzenesulfonic acid Openeye Name: benzene-1,3-diamine; 2,4-diaminobenzenesulfonic acid; isophthalic acid CAS Name: benzene-1,3-diamine; benzene-1,3-dicarboxylic acid; 2,4-diaminobenzenesulfonic acid IUPAC Name: benzene-1,3-diamine; benzene-1,3-dicarboxylic acid; 2,4-diaminobenzenesulfonic acid Traditional Name: 2,4-diaminobesylic acid; isophthalic acid; m-phenylenediamine Formula: C20H22N4O7S MolecularWeight: 462.47628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC(=C1)N)N.C1=CC(=C(C=C1N)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC(=C1)N)N.C1=CC(=C(C=C1N)N)S(=O)(=O)O

InChI

InChI=1S/C8H6O4.C6H8N2O3S.C6H8N2/c9-7(10)5-2-1-3-6(4-5)8(11)12;7-4-1-2-6(5(8)3-4)12(9,10)11;7-5-2-1-3-6(8)4-5/h1-4H,(H,9,10)(H,11,12);1-3H,7-8H2,(H,9,10,11);1-4H,7-8H2