[2,6-bis(bromanyl)-4-cyano-phenyl] 3-bromanyl-4-(8-methyl-7-oxidanylidene-non-8-enoxy)benzoate

Systemtic Name: [2,6-bis(bromanyl)-4-cyano-phenyl] 3-bromanyl-4-(8-methyl-7-oxidanylidene-non-8-enoxy)benzoate Openeye Name: (2,6-dibromo-4-cyano-phenyl) 3-bromo-4-(8-methyl-7-oxo-non-8-enoxy)benzoate CAS Name: 3-bromo-4-(8-methyl-7-oxonon-8-enoxy)benzoic acid (2,6-dibromo-4-cyanophenyl) ester IUPAC Name: (2,6-dibromo-4-cyanophenyl) 3-bromo-4-(8-methyl-7-oxonon-8-enoxy)benzoate Traditional Name: 3-bromo-4-(7-keto-8-methyl-non-8-enoxy)benzoic acid (2,6-dibromo-4-cyano-phenyl) ester Formula: C24H22Br3NO4 MolecularWeight: 628.14778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C#N)Br)Br

Isomeric SMILES

CC(=C)C(=O)CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C#N)Br)Br

InChI

InChI=1S/C24H22Br3NO4/c1-15(2)21(29)7-5-3-4-6-10-31-22-9-8-17(13-18(22)25)24(30)32-23-19(26)11-16(14-28)12-20(23)27/h8-9,11-13H,1,3-7,10H2,2H3