benzene-1,3,5-tricarboxylic acid; methanesulfonic acid

Systemtic Name: benzene-1,3,5-tricarboxylic acid; methanesulfonic acid Openeye Name: benzene-1,3,5-tricarboxylic acid; methanesulfonic acid CAS Name: benzene-1,3,5-tricarboxylic acid; methanesulfonic acid IUPAC Name: benzene-1,3,5-tricarboxylic acid; methanesulfonic acid Traditional Name: mesylic acid; trimesic acid Formula: C12H18O15S3 MolecularWeight: 498.45732

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C9H6O6.3CH4O3S/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;3*1-5(2,3)4/h1-3H,(H,10,11)(H,12,13)(H,14,15);3*1H3,(H,2,3,4)