methyl 5-chloranyl-4,5-dimethyl-hex-2-ynoate

Systemtic Name: methyl 5-chloranyl-4,5-dimethyl-hex-2-ynoate Openeye Name: methyl 5-chloro-4,5-dimethyl-hex-2-ynoate CAS Name: 5-chloro-4,5-dimethyl-2-hexynoic acid methyl ester IUPAC Name: methyl 5-chloro-4,5-dimethylhex-2-ynoate Traditional Name: 5-chloro-4,5-dimethyl-hex-2-ynoic acid methyl ester Formula: C9H13ClO2 MolecularWeight: 188.65132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13ClO2/c1-7(9(2,3)10)5-6-8(11)12-4/h7H,1-4H3