5-[(5-carboxylato-2-chloranyl-3-methyl-4-oxidanyl-phenyl)methyl]-4-chloranyl-3-methyl-2-oxidanyl-benzoate

Systemtic Name: 5-[(5-carboxylato-2-chloranyl-3-methyl-4-oxidanyl-phenyl)methyl]-4-chloranyl-3-methyl-2-oxidanyl-benzoate Openeye Name: 5-[(5-carboxylato-2-chloro-4-hydroxy-3-methyl-phenyl)methyl]-4-chloro-2-hydroxy-3-methyl-benzoate CAS Name: 5-[(5-carboxylato-2-chloro-4-hydroxy-3-methylphenyl)methyl]-4-chloro-2-hydroxy-3-methylbenzoate IUPAC Name: 5-[(5-carboxylato-2-chloro-4-hydroxy-3-methylphenyl)methyl]-4-chloro-2-hydroxy-3-methylbenzoate Traditional Name: 5-(5-carboxylato-2-chloro-4-hydroxy-3-methyl-benzyl)-4-chloro-2-hydroxy-3-methyl-benzoate Formula: C17H12Cl2O6-2 MolecularWeight: 383.17958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1Cl)CC2=C(C(=C(C(=C2)C(=O)[O-])O)C)Cl)C(=O)[O-])O

Isomeric SMILES

CC1=C(C(=CC(=C1Cl)CC2=C(C(=C(C(=C2)C(=O)[O-])O)C)Cl)C(=O)[O-])O

InChI

InChI=1S/C17H14Cl2O6/c1-6-12(18)8(4-10(14(6)20)16(22)23)3-9-5-11(17(24)25)15(21)7(2)13(9)19/h4-5,20-21H,3H2,1-2H3,(H,22,23)(H,24,25)/p-2