ethyl 2,3-dimethyl-5-[2,2,2-tris(3-ethoxycarbonyl-4,5-dimethyl-phenyl)ethyl]benzoate

Systemtic Name: ethyl 2,3-dimethyl-5-[2,2,2-tris(3-ethoxycarbonyl-4,5-dimethyl-phenyl)ethyl]benzoate Openeye Name: ethyl 2,3-dimethyl-5-[2,2,2-tris(3-ethoxycarbonyl-4,5-dimethyl-phenyl)ethyl]benzoate CAS Name: 2,3-dimethyl-5-[2,2,2-tris(3-ethoxycarbonyl-4,5-dimethylphenyl)ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 2,3-dimethyl-5-[2,2,2-tris(3-ethoxycarbonyl-4,5-dimethylphenyl)ethyl]benzoate Traditional Name: 2,3-dimethyl-5-[2,2,2-tris(3-carbethoxy-4,5-dimethyl-phenyl)ethyl]benzoic acid ethyl ester Formula: C46H54O8 MolecularWeight: 734.91616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1C)C)CC(C2=CC(=C(C(=C2)C(=O)OCC)C)C)(C3=CC(=C(C(=C3)C(=O)OCC)C)C)C4=CC(=C(C(=C4)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1C)C)CC(C2=CC(=C(C(=C2)C(=O)OCC)C)C)(C3=CC(=C(C(=C3)C(=O)OCC)C)C)C4=CC(=C(C(=C4)C(=O)OCC)C)C

InChI

InChI=1S/C46H54O8/c1-13-51-42(47)38-21-34(17-26(5)30(38)9)25-46(35-18-27(6)31(10)39(22-35)43(48)52-14-2,36-19-28(7)32(11)40(23-36)44(49)53-15-3)37-20-29(8)33(12)41(24-37)45(50)54-16-4/h17-24H,13-16,25H2,1-12H3