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

Systemtic Name: O1-(phenylmethyl) O4-[2,2,2-tris(chloranyl)ethyl] 2-octylbutanedioate Openeye Name: O1-benzyl O4-(2,2,2-trichloroethyl) 2-octylbutanedioate CAS Name: 2-octylbutanedioic acid O1-(phenylmethyl) ester O4-(2,2,2-trichloroethyl) ester IUPAC Name: 1-O-benzyl 4-O-(2,2,2-trichloroethyl) 2-octylbutanedioate Traditional Name: 2-octylsuccinic acid O1-benzyl ester O4-(2,2,2-trichloroethyl) ester Formula: C21H29Cl3O4 MolecularWeight: 451.81156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29Cl3O4/c1-2-3-4-5-6-10-13-18(14-19(25)28-16-21(22,23)24)20(26)27-15-17-11-8-7-9-12-17/h7-9,11-12,18H,2-6,10,13-16H2,1H3