methyl (4S)-4-[(2R)-4-chloranylbutan-2-yl]hept-6-en-2-ynoate

Systemtic Name: methyl (4S)-4-[(2R)-4-chloranylbutan-2-yl]hept-6-en-2-ynoate Openeye Name: methyl (4S)-4-[(1R)-3-chloro-1-methyl-propyl]hept-6-en-2-ynoate CAS Name: (4S)-4-[(2R)-4-chlorobutan-2-yl]hept-6-en-2-ynoic acid methyl ester IUPAC Name: methyl (4S)-4-[(2R)-4-chlorobutan-2-yl]hept-6-en-2-ynoate Traditional Name: (4S)-4-[(1R)-3-chloro-1-methyl-propyl]hept-6-en-2-ynoic acid methyl ester Formula: C12H17ClO2 MolecularWeight: 228.71518

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCl)C(CC=C)C#CC(=O)OC

Isomeric SMILES

C[C@H](CCCl)[C@H](CC=C)C#CC(=O)OC

InChI

InChI=1S/C12H17ClO2/c1-4-5-11(10(2)8-9-13)6-7-12(14)15-3/h4,10-11H,1,5,8-9H2,2-3H3/t10-,11-/m1/s1