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

Systemtic Name: 4-methyl-5-sulfo-benzene-1,3-dicarboxylic acid Openeye Name: 4-methyl-5-sulfo-benzene-1,3-dicarboxylic acid CAS Name: 4-methyl-5-sulfobenzene-1,3-dicarboxylic acid IUPAC Name: 4-methyl-5-sulfobenzene-1,3-dicarboxylic acid Traditional Name: 4-methyl-5-sulfo-isophthalic acid Formula: C9H8O7S MolecularWeight: 260.22062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)O)C(=O)O)C(=O)O

InChI

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