5-azanylbenzene-1,3-dicarboxylic acid; 4-methylsulfanylaniline

Systemtic Name: 5-azanylbenzene-1,3-dicarboxylic acid; 4-methylsulfanylaniline Openeye Name: 5-aminobenzene-1,3-dicarboxylic acid; 4-methylsulfanylaniline CAS Name: 5-aminobenzene-1,3-dicarboxylic acid; 4-(methylthio)aniline IUPAC Name: 5-aminobenzene-1,3-dicarboxylic acid; 4-methylsulfanylaniline Traditional Name: 5-aminoisophthalic acid; [4-(methylthio)phenyl]amine Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N.C1=C(C=C(C=C1C(=O)O)N)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)N.C1=C(C=C(C=C1C(=O)O)N)C(=O)O

InChI

InChI=1S/C8H7NO4.C7H9NS/c9-6-2-4(7(10)11)1-5(3-6)8(12)13;1-9-7-4-2-6(8)3-5-7/h1-3H,9H2,(H,10,11)(H,12,13);2-5H,8H2,1H3