5-methyl-2-sulfo-benzene-1,3-dicarboxylic acid

Systemtic Name: 5-methyl-2-sulfo-benzene-1,3-dicarboxylic acid Openeye Name: 5-methyl-2-sulfo-benzene-1,3-dicarboxylic acid CAS Name: 5-methyl-2-sulfobenzene-1,3-dicarboxylic acid IUPAC Name: 5-methyl-2-sulfobenzene-1,3-dicarboxylic acid Traditional Name: 5-methyl-2-sulfo-isophthalic acid Formula: C9H8O7S MolecularWeight: 260.22062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C9H8O7S/c1-4-2-5(8(10)11)7(17(14,15)16)6(3-4)9(12)13/h2-3H,1H3,(H,10,11)(H,12,13)(H,14,15,16)