[2,6,6-tris(chloranyl)cyclohexen-1-yl] (2S)-2-chloranyl-4-methyl-2-thiophen-3-yl-pentanoate

Systemtic Name: [2,6,6-tris(chloranyl)cyclohexen-1-yl] (2S)-2-chloranyl-4-methyl-2-thiophen-3-yl-pentanoate Openeye Name: (2,6,6-trichlorocyclohexen-1-yl) (2S)-2-chloro-4-methyl-2-(3-thienyl)pentanoate CAS Name: (2S)-2-chloro-4-methyl-2-(3-thiophenyl)pentanoic acid (2,6,6-trichloro-1-cyclohexenyl) ester IUPAC Name: (2,6,6-trichlorocyclohexen-1-yl) (2S)-2-chloro-4-methyl-2-thiophen-3-ylpentanoate Traditional Name: (2S)-2-chloro-4-methyl-2-(3-thienyl)valeric acid (2,6,6-trichlorocyclohexen-1-yl) ester Formula: C16H18Cl4O2S MolecularWeight: 416.18992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CSC=C1)(C(=O)OC2=C(CCCC2(Cl)Cl)Cl)Cl

Isomeric SMILES

CC(C)C[C@](C1=CSC=C1)(C(=O)OC2=C(CCCC2(Cl)Cl)Cl)Cl

InChI

InChI=1S/C16H18Cl4O2S/c1-10(2)8-15(18,11-5-7-23-9-11)14(21)22-13-12(17)4-3-6-16(13,19)20/h5,7,9-10H,3-4,6,8H2,1-2H3/t15-/m0/s1