2-sulfanylbenzene-1,3,5-tricarboxylic acid

Systemtic Name: 2-sulfanylbenzene-1,3,5-tricarboxylic acid Openeye Name: 2-sulfanylbenzene-1,3,5-tricarboxylic acid CAS Name: 2-mercaptobenzene-1,3,5-tricarboxylic acid IUPAC Name: 2-sulfanylbenzene-1,3,5-tricarboxylic acid Traditional Name: 2-mercaptotrimesic acid Formula: C9H6O6S MolecularWeight: 242.20534

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1C(=O)O)S)C(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1C(=O)O)S)C(=O)O)C(=O)O

InChI

InChI=1S/C9H6O6S/c10-7(11)3-1-4(8(12)13)6(16)5(2-3)9(14)15/h1-2,16H,(H,10,11)(H,12,13)(H,14,15)