butyl 3-bromanyl-2-[4-(2-bromanyl-6-butoxycarbonyl-4-methyl-phenyl)buta-1,3-diynyl]-5-methyl-benzoate

Systemtic Name: butyl 3-bromanyl-2-[4-(2-bromanyl-6-butoxycarbonyl-4-methyl-phenyl)buta-1,3-diynyl]-5-methyl-benzoate Openeye Name: butyl 3-bromo-2-[4-(2-bromo-6-butoxycarbonyl-4-methyl-phenyl)buta-1,3-diynyl]-5-methyl-benzoate CAS Name: 3-bromo-2-[4-[2-bromo-6-[butoxy(oxo)methyl]-4-methylphenyl]buta-1,3-diynyl]-5-methylbenzoic acid butyl ester IUPAC Name: butyl 3-bromo-2-[4-(2-bromo-6-butoxycarbonyl-4-methylphenyl)buta-1,3-diynyl]-5-methylbenzoate Traditional Name: 3-bromo-2-[4-(2-bromo-6-butoxycarbonyl-4-methyl-phenyl)buta-1,3-diynyl]-5-methyl-benzoic acid butyl ester Formula: C28H28Br2O4 MolecularWeight: 588.32752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC(=C1C#CC#CC2=C(C=C(C=C2C(=O)OCCCC)C)Br)Br)C

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC(=C1C#CC#CC2=C(C=C(C=C2C(=O)OCCCC)C)Br)Br)C

InChI

InChI=1S/C28H28Br2O4/c1-5-7-13-33-27(31)23-15-19(3)17-25(29)21(23)11-9-10-12-22-24(16-20(4)18-26(22)30)28(32)34-14-8-6-2/h15-18H,5-8,13-14H2,1-4H3