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

Systemtic Name: bis(8-methylnonyl) 2-chloranyl-2-(1,2,4-triazol-1-yl)propanedioate Openeye Name: bis(8-methylnonyl) 2-chloro-2-(1,2,4-triazol-1-yl)propanedioate CAS Name: 2-chloro-2-(1,2,4-triazol-1-yl)propanedioic acid bis(8-methylnonyl) ester IUPAC Name: bis(8-methylnonyl) 2-chloro-2-(1,2,4-triazol-1-yl)propanedioate Traditional Name: 2-chloro-2-(1,2,4-triazol-1-yl)malonic acid bis(8-methylnonyl) ester Formula: C25H44ClN3O4 MolecularWeight: 486.08756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H44ClN3O4/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