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

Systemtic Name: 2-bromanyl-6-chloranyl-4-[1,2,2-tris(3-bromanyl-4-carboxy-5-chloranyl-phenyl)ethyl]benzoic acid Openeye Name: 2-bromo-6-chloro-4-[1,2,2-tris(3-bromo-4-carboxy-5-chloro-phenyl)ethyl]benzoic acid CAS Name: 2-bromo-6-chloro-4-[1,2,2-tris(3-bromo-4-carboxy-5-chlorophenyl)ethyl]benzoic acid IUPAC Name: 2-bromo-6-chloro-4-[1,2,2-tris(3-bromo-4-carboxy-5-chlorophenyl)ethyl]benzoic acid Traditional Name: 2-bromo-6-chloro-4-[1,2,2-tris(3-bromo-4-carboxy-5-chloro-phenyl)ethyl]benzoic acid Formula: C30H14Br4Cl4O8 MolecularWeight: 963.85536

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)C(=O)O)Br)C(C2=CC(=C(C(=C2)Br)C(=O)O)Cl)C(C3=CC(=C(C(=C3)Br)C(=O)O)Cl)C4=CC(=C(C(=C4)Br)C(=O)O)Cl

Isomeric SMILES

C1=C(C=C(C(=C1Cl)C(=O)O)Br)C(C2=CC(=C(C(=C2)Br)C(=O)O)Cl)C(C3=CC(=C(C(=C3)Br)C(=O)O)Cl)C4=CC(=C(C(=C4)Br)C(=O)O)Cl

InChI

InChI=1S/C30H14Br4Cl4O8/c31-13-1-9(5-17(35)23(13)27(39)40)21(10-2-14(32)24(28(41)42)18(36)6-10)22(11-3-15(33)25(29(43)44)19(37)7-11)12-4-16(34)26(30(45)46)20(38)8-12/h1-8,21-22H,(H,39,40)(H,41,42)(H,43,44)(H,45,46)