ethyl (E)-3-[(1R,2R)-2-ethynyl-1,4,4-trimethyl-2-oxidanyl-cyclopentyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[(1R,2R)-2-ethynyl-1,4,4-trimethyl-2-oxidanyl-cyclopentyl]prop-2-enoate Openeye Name: ethyl (E)-3-[(1R,2R)-2-ethynyl-2-hydroxy-1,4,4-trimethyl-cyclopentyl]prop-2-enoate CAS Name: (E)-3-[(1R,2R)-2-ethynyl-2-hydroxy-1,4,4-trimethylcyclopentyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(1R,2R)-2-ethynyl-2-hydroxy-1,4,4-trimethylcyclopentyl]prop-2-enoate Traditional Name: (E)-3-[(1R,2R)-2-ethynyl-2-hydroxy-1,4,4-trimethyl-cyclopentyl]acrylic acid ethyl ester Formula: C15H22O3 MolecularWeight: 250.33338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1(CC(CC1(C#C)O)(C)C)C

Isomeric SMILES

CCOC(=O)/C=C/[C@]1(CC(C[C@]1(C#C)O)(C)C)C

InChI

InChI=1S/C15H22O3/c1-6-15(17)11-13(3,4)10-14(15,5)9-8-12(16)18-7-2/h1,8-9,17H,7,10-11H2,2-5H3/b9-8+/t14-,15-/m0/s1