4-(3,4-dicarboxy-2-methyl-phenyl)sulfonyl-3-methyl-phthalic acid

Systemtic Name: 4-(3,4-dicarboxy-2-methyl-phenyl)sulfonyl-3-methyl-phthalic acid Openeye Name: 4-(3,4-dicarboxy-2-methyl-phenyl)sulfonyl-3-methyl-phthalic acid CAS Name: 4-(3,4-dicarboxy-2-methylphenyl)sulfonyl-3-methylphthalic acid IUPAC Name: 4-(3,4-dicarboxy-2-methylphenyl)sulfonyl-3-methylphthalic acid Traditional Name: 4-(3,4-dicarboxy-2-methyl-phenyl)sulfonyl-3-methyl-phthalic acid Formula: C18H14O10S MolecularWeight: 422.36276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)O)C(=O)O)S(=O)(=O)C2=C(C(=C(C=C2)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)O)C(=O)O)S(=O)(=O)C2=C(C(=C(C=C2)C(=O)O)C(=O)O)C

InChI

InChI=1S/C18H14O10S/c1-7-11(5-3-9(15(19)20)13(7)17(23)24)29(27,28)12-6-4-10(16(21)22)14(8(12)2)18(25)26/h3-6H,1-2H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26)