1-(3,5-dimethyl-4-oxidanyl-phenyl)-5-sulfanyl-pentan-3-one

Systemtic Name: 1-(3,5-dimethyl-4-oxidanyl-phenyl)-5-sulfanyl-pentan-3-one Openeye Name: 1-(4-hydroxy-3,5-dimethyl-phenyl)-5-sulfanyl-pentan-3-one CAS Name: 1-(4-hydroxy-3,5-dimethylphenyl)-5-mercapto-3-pentanone IUPAC Name: 1-(4-hydroxy-3,5-dimethylphenyl)-5-sulfanylpentan-3-one Traditional Name: 1-(4-hydroxy-3,5-dimethyl-phenyl)-5-mercapto-pentan-3-one Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CCC(=O)CCS

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CCC(=O)CCS

InChI

InChI=1S/C13H18O2S/c1-9-7-11(8-10(2)13(9)15)3-4-12(14)5-6-16/h7-8,15-16H,3-6H2,1-2H3