(E)-1-[(1R,4S)-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]pent-2-ene-1,4-dione

Systemtic Name: (E)-1-[(1R,4S)-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]pent-2-ene-1,4-dione Openeye Name: (E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]pent-2-ene-1,4-dione CAS Name: (E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-2-pentene-1,4-dione IUPAC Name: (E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]pent-2-ene-1,4-dione Traditional Name: (E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]pent-2-ene-1,4-dione Formula: C13H20O3 MolecularWeight: 224.2961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC(=O)C1(CC(CC1(C)C)O)C

Isomeric SMILES

CC(=O)/C=C/C(=O)[C@@]1(C[C@H](CC1(C)C)O)C

InChI

InChI=1S/C13H20O3/c1-9(14)5-6-11(16)13(4)8-10(15)7-12(13,2)3/h5-6,10,15H,7-8H2,1-4H3/b6-5+/t10-,13-/m0/s1