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

Systemtic Name: 3-chloranyl-4-(3,4-dicarboxyphenyl)sulfonyl-phthalic acid Openeye Name: 3-chloro-4-(3,4-dicarboxyphenyl)sulfonyl-phthalic acid CAS Name: 3-chloro-4-(3,4-dicarboxyphenyl)sulfonylphthalic acid IUPAC Name: 3-chloro-4-(3,4-dicarboxyphenyl)sulfonylphthalic acid Traditional Name: 3-chloro-4-(3,4-dicarboxyphenyl)sulfonyl-phthalic acid Formula: C16H9ClO10S MolecularWeight: 428.75466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)C2=C(C(=C(C=C2)C(=O)O)C(=O)O)Cl)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C2=C(C(=C(C=C2)C(=O)O)C(=O)O)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C16H9ClO10S/c17-12-10(4-3-8(14(20)21)11(12)16(24)25)28(26,27)6-1-2-7(13(18)19)9(5-6)15(22)23/h1-5H,(H,18,19)(H,20,21)(H,22,23)(H,24,25)