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

Systemtic Name: O1-(phenylmethyl) O4-[2,2,2-tris(chloranyl)ethyl] 2-heptylbutanedioate Openeye Name: O1-benzyl O4-(2,2,2-trichloroethyl) 2-heptylbutanedioate CAS Name: 2-heptylbutanedioic acid O1-(phenylmethyl) ester O4-(2,2,2-trichloroethyl) ester IUPAC Name: 1-O-benzyl 4-O-(2,2,2-trichloroethyl) 2-heptylbutanedioate Traditional Name: 2-heptylsuccinic acid O1-benzyl ester O4-(2,2,2-trichloroethyl) ester Formula: C20H27Cl3O4 MolecularWeight: 437.78498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27Cl3O4/c1-2-3-4-5-9-12-17(13-18(24)27-15-20(21,22)23)19(25)26-14-16-10-7-6-8-11-16/h6-8,10-11,17H,2-5,9,12-15H2,1H3