4-(3,4-dicarboxyphenyl)sulfonyl-3-methyl-phthalic acid

Systemtic Name: 4-(3,4-dicarboxyphenyl)sulfonyl-3-methyl-phthalic acid Openeye Name: 4-(3,4-dicarboxyphenyl)sulfonyl-3-methyl-phthalic acid CAS Name: 4-(3,4-dicarboxyphenyl)sulfonyl-3-methylphthalic acid IUPAC Name: 4-(3,4-dicarboxyphenyl)sulfonyl-3-methylphthalic acid Traditional Name: 4-(3,4-dicarboxyphenyl)sulfonyl-3-methyl-phthalic acid Formula: C17H12O10S MolecularWeight: 408.33618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12O10S/c1-7-12(5-4-10(15(20)21)13(7)17(24)25)28(26,27)8-2-3-9(14(18)19)11(6-8)16(22)23/h2-6H,1H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25)