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

Systemtic Name: 4,6-bis(2-methylphenyl)-5-sulfo-benzene-1,3-dicarboxylic acid Openeye Name: 4,6-bis(o-tolyl)-5-sulfo-benzene-1,3-dicarboxylic acid CAS Name: 4,6-bis(2-methylphenyl)-5-sulfobenzene-1,3-dicarboxylic acid IUPAC Name: 4,6-bis(2-methylphenyl)-5-sulfobenzene-1,3-dicarboxylic acid Traditional Name: 4,6-bis(o-tolyl)-5-sulfo-isophthalic acid Formula: C22H18O7S MolecularWeight: 426.43912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C(=C(C=C2C(=O)O)C(=O)O)C3=CC=CC=C3C)S(=O)(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C(=C(C=C2C(=O)O)C(=O)O)C3=CC=CC=C3C)S(=O)(=O)O

InChI

InChI=1S/C22H18O7S/c1-12-7-3-5-9-14(12)18-16(21(23)24)11-17(22(25)26)19(20(18)30(27,28)29)15-10-6-4-8-13(15)2/h3-11H,1-2H3,(H,23,24)(H,25,26)(H,27,28,29)