O1-(phenylmethyl) O4-[2,2,2-tris(chloranyl)ethyl] 2-decylbutanedioate

Systemtic Name: O1-(phenylmethyl) O4-[2,2,2-tris(chloranyl)ethyl] 2-decylbutanedioate Openeye Name: O1-benzyl O4-(2,2,2-trichloroethyl) 2-decylbutanedioate CAS Name: 2-decylbutanedioic acid O1-(phenylmethyl) ester O4-(2,2,2-trichloroethyl) ester IUPAC Name: 1-O-benzyl 4-O-(2,2,2-trichloroethyl) 2-decylbutanedioate Traditional Name: 2-decylsuccinic acid O1-benzyl ester O4-(2,2,2-trichloroethyl) ester Formula: C23H33Cl3O4 MolecularWeight: 479.86472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CC(=O)OCC(Cl)(Cl)Cl)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCC(CC(=O)OCC(Cl)(Cl)Cl)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C23H33Cl3O4/c1-2-3-4-5-6-7-8-12-15-20(16-21(27)30-18-23(24,25)26)22(28)29-17-19-13-10-9-11-14-19/h9-11,13-14,20H,2-8,12,15-18H2,1H3