(1S,5R,6S)-4-ethyl-5-pentan-3-yloxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid

Systemtic Name: (1S,5R,6S)-4-ethyl-5-pentan-3-yloxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid Openeye Name: (1S,5R,6S)-4-ethyl-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid CAS Name: (1S,5R,6S)-4-ethyl-5-pentan-3-yloxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid IUPAC Name: (1S,5R,6S)-4-ethyl-5-pentan-3-yloxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid Traditional Name: (1S,5R,6S)-4-ethyl-5-(1-ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid Formula: C14H22O4 MolecularWeight: 254.32208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(CC2C(C1OC(CC)CC)O2)C(=O)O

Isomeric SMILES

CCC1=C(C[C@H]2[C@@H]([C@@H]1OC(CC)CC)O2)C(=O)O

InChI

InChI=1S/C14H22O4/c1-4-8(5-2)17-12-9(6-3)10(14(15)16)7-11-13(12)18-11/h8,11-13H,4-7H2,1-3H3,(H,15,16)/t11-,12+,13-/m0/s1