2,4-bis(3-chloranyl-4-oxidanyl-phenyl)benzene-1,3-dicarboxylate

Systemtic Name: 2,4-bis(3-chloranyl-4-oxidanyl-phenyl)benzene-1,3-dicarboxylate Openeye Name: 2,4-bis(3-chloro-4-hydroxy-phenyl)benzene-1,3-dicarboxylate CAS Name: 2,4-bis(3-chloro-4-hydroxyphenyl)benzene-1,3-dicarboxylate IUPAC Name: 2,4-bis(3-chloro-4-hydroxyphenyl)benzene-1,3-dicarboxylate Traditional Name: 2,4-bis(3-chloro-4-hydroxy-phenyl)isophthalate Formula: C20H10Cl2O6-2 MolecularWeight: 417.1958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(C(=C(C=C2)C(=O)[O-])C3=CC(=C(C=C3)O)Cl)C(=O)[O-])Cl)O

Isomeric SMILES

C1=CC(=C(C=C1C2=C(C(=C(C=C2)C(=O)[O-])C3=CC(=C(C=C3)O)Cl)C(=O)[O-])Cl)O

InChI

InChI=1S/C20H12Cl2O6/c21-13-7-9(1-5-15(13)23)11-3-4-12(19(25)26)17(18(11)20(27)28)10-2-6-16(24)14(22)8-10/h1-8,23-24H,(H,25,26)(H,27,28)/p-2