(E)-4-[(1R,2R)-1-methyl-2-oxidanyl-2-propa-1,2-dienyl-cyclohexyl]but-3-en-2-one

Systemtic Name: (E)-4-[(1R,2R)-1-methyl-2-oxidanyl-2-propa-1,2-dienyl-cyclohexyl]but-3-en-2-one Openeye Name: (E)-4-[(1R,2R)-2-hydroxy-1-methyl-2-propa-1,2-dienyl-cyclohexyl]but-3-en-2-one CAS Name: (E)-4-[(1R,2R)-2-hydroxy-1-methyl-2-propa-1,2-dienylcyclohexyl]-3-buten-2-one IUPAC Name: (E)-4-[(1R,2R)-2-hydroxy-1-methyl-2-propa-1,2-dienylcyclohexyl]but-3-en-2-one Traditional Name: (E)-4-[(1R,2R)-2-hydroxy-1-methyl-2-propa-1,2-dienyl-cyclohexyl]but-3-en-2-one Formula: C14H20O2 MolecularWeight: 220.3074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1(CCCCC1(C=C=C)O)C

Isomeric SMILES

CC(=O)/C=C/[C@]1(CCCC[C@]1(C=C=C)O)C

InChI

InChI=1S/C14H20O2/c1-4-8-14(16)10-6-5-9-13(14,3)11-7-12(2)15/h7-8,11,16H,1,5-6,9-10H2,2-3H3/b11-7+/t13-,14+/m1/s1