ethyl 2-bromanyl-3,4,5,6-tetrakis(3,3-dimethylbut-1-ynyl)benzoate

Systemtic Name: ethyl 2-bromanyl-3,4,5,6-tetrakis(3,3-dimethylbut-1-ynyl)benzoate Openeye Name: ethyl 2-bromo-3,4,5,6-tetrakis(3,3-dimethylbut-1-ynyl)benzoate CAS Name: 2-bromo-3,4,5,6-tetrakis(3,3-dimethylbut-1-ynyl)benzoic acid ethyl ester IUPAC Name: ethyl 2-bromo-3,4,5,6-tetrakis(3,3-dimethylbut-1-ynyl)benzoate Traditional Name: 2-bromo-3,4,5,6-tetrakis(3,3-dimethylbut-1-ynyl)benzoic acid ethyl ester Formula: C33H41BrO2 MolecularWeight: 549.58144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C(=C1Br)C#CC(C)(C)C)C#CC(C)(C)C)C#CC(C)(C)C)C#CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C(=C1Br)C#CC(C)(C)C)C#CC(C)(C)C)C#CC(C)(C)C)C#CC(C)(C)C

InChI

InChI=1S/C33H41BrO2/c1-14-36-29(35)27-25(17-21-32(8,9)10)23(15-19-30(2,3)4)24(16-20-31(5,6)7)26(28(27)34)18-22-33(11,12)13/h14H2,1-13H3