4-(2,6-dimethylphenyl)-5-sulfo-benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(2,6-dimethylphenyl)-5-sulfo-benzene-1,3-dicarboxylic acid Openeye Name: 4-(2,6-dimethylphenyl)-5-sulfo-benzene-1,3-dicarboxylic acid CAS Name: 4-(2,6-dimethylphenyl)-5-sulfobenzene-1,3-dicarboxylic acid IUPAC Name: 4-(2,6-dimethylphenyl)-5-sulfobenzene-1,3-dicarboxylic acid Traditional Name: 4-(2,6-dimethylphenyl)-5-sulfo-isophthalic acid Formula: C16H14O7S MolecularWeight: 350.34316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=C(C=C(C=C2S(=O)(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=C(C=C(C=C2S(=O)(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C16H14O7S/c1-8-4-3-5-9(2)13(8)14-11(16(19)20)6-10(15(17)18)7-12(14)24(21,22)23/h3-7H,1-2H3,(H,17,18)(H,19,20)(H,21,22,23)