2-chloranyl-4-[1,2,2-tris(4-carboxy-3-chloranyl-phenyl)ethyl]benzoic acid

Systemtic Name: 2-chloranyl-4-[1,2,2-tris(4-carboxy-3-chloranyl-phenyl)ethyl]benzoic acid Openeye Name: 2-chloro-4-[1,2,2-tris(4-carboxy-3-chloro-phenyl)ethyl]benzoic acid CAS Name: 2-chloro-4-[1,2,2-tris(4-carboxy-3-chlorophenyl)ethyl]benzoic acid IUPAC Name: 2-chloro-4-[1,2,2-tris(4-carboxy-3-chlorophenyl)ethyl]benzoic acid Traditional Name: 2-chloro-4-[1,2,2-tris(4-carboxy-3-chloro-phenyl)ethyl]benzoic acid Formula: C30H18Cl4O8 MolecularWeight: 648.27112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C2=CC(=C(C=C2)C(=O)O)Cl)C(C3=CC(=C(C=C3)C(=O)O)Cl)C4=CC(=C(C=C4)C(=O)O)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(C2=CC(=C(C=C2)C(=O)O)Cl)C(C3=CC(=C(C=C3)C(=O)O)Cl)C4=CC(=C(C=C4)C(=O)O)Cl)Cl)C(=O)O

InChI

InChI=1S/C30H18Cl4O8/c31-21-9-13(1-5-17(21)27(35)36)25(14-2-6-18(28(37)38)22(32)10-14)26(15-3-7-19(29(39)40)23(33)11-15)16-4-8-20(30(41)42)24(34)12-16/h1-12,25-26H,(H,35,36)(H,37,38)(H,39,40)(H,41,42)