2-chloranyl-6-phenyl-4-[1,2,2-tris(4-carboxy-3-chloranyl-5-phenyl-phenyl)ethyl]benzoic acid

Systemtic Name: 2-chloranyl-6-phenyl-4-[1,2,2-tris(4-carboxy-3-chloranyl-5-phenyl-phenyl)ethyl]benzoic acid Openeye Name: 2-chloro-6-phenyl-4-[1,2,2-tris(4-carboxy-3-chloro-5-phenyl-phenyl)ethyl]benzoic acid CAS Name: 2-chloro-6-phenyl-4-[1,2,2-tris(4-carboxy-3-chloro-5-phenylphenyl)ethyl]benzoic acid IUPAC Name: 2-chloro-6-phenyl-4-[1,2,2-tris(4-carboxy-3-chloro-5-phenylphenyl)ethyl]benzoic acid Traditional Name: 2-chloro-6-phenyl-4-[1,2,2-tris(4-carboxy-3-chloro-5-phenyl-phenyl)ethyl]benzoic acid Formula: C54H34Cl4O8 MolecularWeight: 952.65496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC(=C2C(=O)O)Cl)C(C3=CC(=C(C(=C3)C4=CC=CC=C4)C(=O)O)Cl)C(C5=CC(=C(C(=C5)C6=CC=CC=C6)C(=O)O)Cl)C7=CC(=C(C(=C7)C8=CC=CC=C8)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC(=C2C(=O)O)Cl)C(C3=CC(=C(C(=C3)C4=CC=CC=C4)C(=O)O)Cl)C(C5=CC(=C(C(=C5)C6=CC=CC=C6)C(=O)O)Cl)C7=CC(=C(C(=C7)C8=CC=CC=C8)C(=O)O)Cl

InChI

InChI=1S/C54H34Cl4O8/c55-41-25-33(21-37(47(41)51(59)60)29-13-5-1-6-14-29)45(34-22-38(30-15-7-2-8-16-30)48(52(61)62)42(56)26-34)46(35-23-39(31-17-9-3-10-18-31)49(53(63)64)43(57)27-35)36-24-40(32-19-11-4-12-20-32)50(54(65)66)44(58)28-36/h1-28,45-46H,(H,59,60)(H,61,62)(H,63,64)(H,65,66)