methyl 3-tert-butyl-2-ethanoyl-hept-6-ynoate

Systemtic Name: methyl 3-tert-butyl-2-ethanoyl-hept-6-ynoate Openeye Name: methyl 2-acetyl-3-tert-butyl-hept-6-ynoate CAS Name: 2-acetyl-3-tert-butyl-6-heptynoic acid methyl ester IUPAC Name: methyl 2-acetyl-3-tert-butylhept-6-ynoate Traditional Name: 2-acetyl-3-tert-butyl-hept-6-ynoic acid methyl ester Formula: C14H22O3 MolecularWeight: 238.32268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O3/c1-7-8-9-11(14(3,4)5)12(10(2)15)13(16)17-6/h1,11-12H,8-9H2,2-6H3