bis(8-methylnonyl) 2-bromanyl-2-(1,2,4-triazol-1-yl)propanedioate

Systemtic Name: bis(8-methylnonyl) 2-bromanyl-2-(1,2,4-triazol-1-yl)propanedioate Openeye Name: bis(8-methylnonyl) 2-bromo-2-(1,2,4-triazol-1-yl)propanedioate CAS Name: 2-bromo-2-(1,2,4-triazol-1-yl)propanedioic acid bis(8-methylnonyl) ester IUPAC Name: bis(8-methylnonyl) 2-bromo-2-(1,2,4-triazol-1-yl)propanedioate Traditional Name: 2-bromo-2-(1,2,4-triazol-1-yl)malonic acid bis(8-methylnonyl) ester Formula: C25H44BrN3O4 MolecularWeight: 530.53856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCOC(=O)C(C(=O)OCCCCCCCC(C)C)(N1C=NC=N1)Br

Isomeric SMILES

CC(C)CCCCCCCOC(=O)C(C(=O)OCCCCCCCC(C)C)(N1C=NC=N1)Br

InChI

InChI=1S/C25H44BrN3O4/c1-21(2)15-11-7-5-9-13-17-32-23(30)25(26,29-20-27-19-28-29)24(31)33-18-14-10-6-8-12-16-22(3)4/h19-22H,5-18H2,1-4H3