(E,2R)-7-methyl-2-(4-methyl-2-oxidanyl-phenyl)-2,7-bis(oxidanyl)oct-5-en-3-one

Systemtic Name: (E,2R)-7-methyl-2-(4-methyl-2-oxidanyl-phenyl)-2,7-bis(oxidanyl)oct-5-en-3-one Openeye Name: (E,2R)-2,7-dihydroxy-2-(2-hydroxy-4-methyl-phenyl)-7-methyl-oct-5-en-3-one CAS Name: (E,2R)-2,7-dihydroxy-2-(2-hydroxy-4-methylphenyl)-7-methyl-5-octen-3-one IUPAC Name: (E,2R)-2,7-dihydroxy-2-(2-hydroxy-4-methylphenyl)-7-methyloct-5-en-3-one Traditional Name: (E,2R)-2,7-dihydroxy-2-(2-hydroxy-4-methyl-phenyl)-7-methyl-oct-5-en-3-one Formula: C16H22O4 MolecularWeight: 278.34348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O4/c1-11-7-8-12(13(17)10-11)16(4,20)14(18)6-5-9-15(2,3)19/h5,7-10,17,19-20H,6H2,1-4H3/b9-5+/t16-/m1/s1