(2S,3S)-2-(4-chloranylbut-2-ynyl)-3-(4,4-diethoxybut-1-en-2-yl)-2-methyl-cyclopentan-1-one

Systemtic Name: (2S,3S)-2-(4-chloranylbut-2-ynyl)-3-(4,4-diethoxybut-1-en-2-yl)-2-methyl-cyclopentan-1-one Openeye Name: (2S,3S)-2-(4-chlorobut-2-ynyl)-3-(3,3-diethoxy-1-methylene-propyl)-2-methyl-cyclopentanone CAS Name: (2S,3S)-2-(4-chlorobut-2-ynyl)-3-(4,4-diethoxybut-1-en-2-yl)-2-methyl-1-cyclopentanone IUPAC Name: (2S,3S)-2-(4-chlorobut-2-ynyl)-3-(4,4-diethoxybut-1-en-2-yl)-2-methylcyclopentan-1-one Traditional Name: (2S,3S)-2-(4-chlorobut-2-ynyl)-3-[1-(2,2-diethoxyethyl)vinyl]-2-methyl-cyclopentanone Formula: C18H27ClO3 MolecularWeight: 326.85818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(=C)C1CCC(=O)C1(C)CC#CCCl)OCC

Isomeric SMILES

CCOC(CC(=C)[C@@H]1CCC(=O)[C@@]1(C)CC#CCCl)OCC

InChI

InChI=1S/C18H27ClO3/c1-5-21-17(22-6-2)13-14(3)15-9-10-16(20)18(15,4)11-7-8-12-19/h15,17H,3,5-6,9-13H2,1-2,4H3/t15-,18-/m0/s1