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

Systemtic Name: 4-[(4S,6S)-2,2,6-trimethyl-4,6-bis(oxidanyl)cyclohexylidene]but-3-en-2-one Openeye Name: 4-[(2S,4S)-2,4-dihydroxy-2,6,6-trimethyl-cyclohexylidene]but-3-en-2-one CAS Name: 4-[(2S,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-3-buten-2-one IUPAC Name: 4-[(2S,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]but-3-en-2-one Traditional Name: 4-[(2S,4S)-2,4-dihydroxy-2,6,6-trimethyl-cyclohexylidene]but-3-en-2-one Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C=C=C1[C@@](C[C@H](CC1(C)C)O)(C)O

InChI

InChI=1S/C13H20O3/c1-9(14)5-6-11-12(2,3)7-10(15)8-13(11,4)16/h5,10,15-16H,7-8H2,1-4H3/t6?,10-,13-/m0/s1