[2,4,5-tris(chloranyl)phenyl] 4-[4-[2-[4-(2-butoxyethoxy)phenyl]ethynyl]phenyl]benzoate

Systemtic Name: [2,4,5-tris(chloranyl)phenyl] 4-[4-[2-[4-(2-butoxyethoxy)phenyl]ethynyl]phenyl]benzoate Openeye Name: (2,4,5-trichlorophenyl) 4-[4-[2-[4-(2-butoxyethoxy)phenyl]ethynyl]phenyl]benzoate CAS Name: 4-[4-[2-[4-(2-butoxyethoxy)phenyl]ethynyl]phenyl]benzoic acid (2,4,5-trichlorophenyl) ester IUPAC Name: (2,4,5-trichlorophenyl) 4-[4-[2-[4-(2-butoxyethoxy)phenyl]ethynyl]phenyl]benzoate Traditional Name: 4-[4-[2-[4-(2-butoxyethoxy)phenyl]ethynyl]phenyl]benzoic acid (2,4,5-trichlorophenyl) ester Formula: C33H27Cl3O4 MolecularWeight: 593.92408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC4=CC(=C(C=C4Cl)Cl)Cl

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC4=CC(=C(C=C4Cl)Cl)Cl

InChI

InChI=1S/C33H27Cl3O4/c1-2-3-18-38-19-20-39-28-16-8-24(9-17-28)5-4-23-6-10-25(11-7-23)26-12-14-27(15-13-26)33(37)40-32-22-30(35)29(34)21-31(32)36/h6-17,21-22H,2-3,18-20H2,1H3