2,2,4,4,6-pentamethylhept-5-enoate

Systemtic Name: 2,2,4,4,6-pentamethylhept-5-enoate Openeye Name: 2,2,4,4,6-pentamethylhept-5-enoate CAS Name: 2,2,4,4,6-pentamethyl-5-heptenoate IUPAC Name: 2,2,4,4,6-pentamethylhept-5-enoate Traditional Name: 2,2,4,4,6-pentamethylhept-5-enoate Formula: C12H21O2- MolecularWeight: 197.29394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(C)(C)CC(C)(C)C(=O)[O-])C

Isomeric SMILES

CC(=CC(C)(C)CC(C)(C)C(=O)[O-])C

InChI

InChI=1S/C12H22O2/c1-9(2)7-11(3,4)8-12(5,6)10(13)14/h7H,8H2,1-6H3,(H,13,14)/p-1