[1,1,1-tris(chloranyl)-4-methyl-pent-3-en-2-yl] benzoate

Systemtic Name: [1,1,1-tris(chloranyl)-4-methyl-pent-3-en-2-yl] benzoate Openeye Name: [3-methyl-1-(trichloromethyl)but-2-enyl] benzoate CAS Name: benzoic acid (1,1,1-trichloro-4-methylpent-3-en-2-yl) ester IUPAC Name: (1,1,1-trichloro-4-methylpent-3-en-2-yl) benzoate Traditional Name: benzoic acid [3-methyl-1-(trichloromethyl)but-2-enyl] ester Formula: C13H13Cl3O2 MolecularWeight: 307.60012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(C(Cl)(Cl)Cl)OC(=O)C1=CC=CC=C1)C

Isomeric SMILES

CC(=CC(C(Cl)(Cl)Cl)OC(=O)C1=CC=CC=C1)C

InChI

InChI=1S/C13H13Cl3O2/c1-9(2)8-11(13(14,15)16)18-12(17)10-6-4-3-5-7-10/h3-8,11H,1-2H3