methyl (E)-6-chloranyl-6-methyl-hept-2-en-4-ynoate

Systemtic Name: methyl (E)-6-chloranyl-6-methyl-hept-2-en-4-ynoate Openeye Name: methyl (E)-6-chloro-6-methyl-hept-2-en-4-ynoate CAS Name: (E)-6-chloro-6-methylhept-2-en-4-ynoic acid methyl ester IUPAC Name: methyl (E)-6-chloro-6-methylhept-2-en-4-ynoate Traditional Name: (E)-6-chloro-6-methyl-hept-2-en-4-ynoic acid methyl ester Formula: C9H11ClO2 MolecularWeight: 186.63544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11ClO2/c1-9(2,10)7-5-4-6-8(11)12-3/h4,6H,1-3H3/b6-4+