(E,2S,3R)-2-ethanoyl-2,3,6-trimethyl-hept-4-enoic acid

Systemtic Name: (E,2S,3R)-2-ethanoyl-2,3,6-trimethyl-hept-4-enoic acid Openeye Name: (E,2S,3R)-2-acetyl-2,3,6-trimethyl-hept-4-enoic acid CAS Name: (E,2S,3R)-2-acetyl-2,3,6-trimethyl-4-heptenoic acid IUPAC Name: (E,2S,3R)-2-acetyl-2,3,6-trimethylhept-4-enoic acid Traditional Name: (E,2S,3R)-2-acetyl-2,3,6-trimethyl-hept-4-enoic acid Formula: C12H20O3 MolecularWeight: 212.2854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC(C)C(C)(C(=O)C)C(=O)O

Isomeric SMILES

C[C@H](/C=C/C(C)C)[C@@](C)(C(=O)C)C(=O)O

InChI

InChI=1S/C12H20O3/c1-8(2)6-7-9(3)12(5,10(4)13)11(14)15/h6-9H,1-5H3,(H,14,15)/b7-6+/t9-,12+/m1/s1