(E)-1,4-bis(oxidanyl)-1-(2,2,6-trimethylcyclohexyl)but-3-en-2-one

Systemtic Name: (E)-1,4-bis(oxidanyl)-1-(2,2,6-trimethylcyclohexyl)but-3-en-2-one Openeye Name: (E)-1,4-dihydroxy-1-(2,2,6-trimethylcyclohexyl)but-3-en-2-one CAS Name: (E)-1,4-dihydroxy-1-(2,2,6-trimethylcyclohexyl)-3-buten-2-one IUPAC Name: (E)-1,4-dihydroxy-1-(2,2,6-trimethylcyclohexyl)but-3-en-2-one Traditional Name: (E)-1,4-dihydroxy-1-(2,2,6-trimethylcyclohexyl)but-3-en-2-one Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C(C(=O)C=CO)O)(C)C

Isomeric SMILES

CC1CCCC(C1C(C(=O)/C=C/O)O)(C)C

InChI

InChI=1S/C13H22O3/c1-9-5-4-7-13(2,3)11(9)12(16)10(15)6-8-14/h6,8-9,11-12,14,16H,4-5,7H2,1-3H3/b8-6+