3-[[3-[(3-carboxy-2-oxidanyl-phenyl)methyl]-5-chloranyl-2-oxidanyl-phenyl]methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 3-[[3-[(3-carboxy-2-oxidanyl-phenyl)methyl]-5-chloranyl-2-oxidanyl-phenyl]methyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[[3-[(3-carboxy-2-hydroxy-phenyl)methyl]-5-chloro-2-hydroxy-phenyl]methyl]-2-hydroxy-benzoic acid CAS Name: 3-[[3-[(3-carboxy-2-hydroxyphenyl)methyl]-5-chloro-2-hydroxyphenyl]methyl]-2-hydroxybenzoic acid IUPAC Name: 3-[[3-[(3-carboxy-2-hydroxyphenyl)methyl]-5-chloro-2-hydroxyphenyl]methyl]-2-hydroxybenzoic acid Traditional Name: 3-[3-(3-carboxy-2-hydroxy-benzyl)-5-chloro-2-hydroxy-benzyl]-2-hydroxy-benzoic acid Formula: C22H17ClO7 MolecularWeight: 428.81918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CC2=CC(=CC(=C2O)CC3=CC=CC(=C3O)C(=O)O)Cl)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)CC2=CC(=CC(=C2O)CC3=CC=CC(=C3O)C(=O)O)Cl)O)C(=O)O

InChI

InChI=1S/C22H17ClO7/c23-15-9-13(7-11-3-1-5-16(19(11)25)21(27)28)18(24)14(10-15)8-12-4-2-6-17(20(12)26)22(29)30/h1-6,9-10,24-26H,7-8H2,(H,27,28)(H,29,30)