(E)-4-[2,2,6-trimethyl-4,6-bis(oxidanyl)cyclohexyl]but-3-en-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1C(CC(CC1(C)O)O)(C)C

Isomeric SMILES

CC(=O)/C=C/C1C(CC(CC1(C)O)O)(C)C

InChI

InChI=1S/C13H22O3/c1-9(14)5-6-11-12(2,3)7-10(15)8-13(11,4)16/h5-6,10-11,15-16H,7-8H2,1-4H3/b6-5+