1-[5-methyl-2-methylsulfanyl-4,6-bis(oxidanyl)-3-(3-oxidanylbutyl)phenyl]ethanone

Systemtic Name: 1-[5-methyl-2-methylsulfanyl-4,6-bis(oxidanyl)-3-(3-oxidanylbutyl)phenyl]ethanone Openeye Name: 1-[2,4-dihydroxy-5-(3-hydroxybutyl)-3-methyl-6-methylsulfanyl-phenyl]ethanone CAS Name: 1-[2,4-dihydroxy-5-(3-hydroxybutyl)-3-methyl-6-(methylthio)phenyl]ethanone IUPAC Name: 1-[2,4-dihydroxy-5-(3-hydroxybutyl)-3-methyl-6-methylsulfanylphenyl]ethanone Traditional Name: 1-[2,4-dihydroxy-5-(3-hydroxybutyl)-3-methyl-6-(methylthio)phenyl]ethanone Formula: C14H20O4S MolecularWeight: 284.3712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1O)C(=O)C)SC)CCC(C)O)O

Isomeric SMILES

CC1=C(C(=C(C(=C1O)C(=O)C)SC)CCC(C)O)O

InChI

InChI=1S/C14H20O4S/c1-7(15)5-6-10-12(17)8(2)13(18)11(9(3)16)14(10)19-4/h7,15,17-18H,5-6H2,1-4H3