5-(4-butylsulfanylphenyl)-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 5-(4-butylsulfanylphenyl)-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 5-(4-butylsulfanylphenyl)-3-hydroxy-cyclohex-2-en-1-one CAS Name: 5-[4-(butylthio)phenyl]-3-hydroxy-1-cyclohex-2-enone IUPAC Name: 5-(4-butylsulfanylphenyl)-3-hydroxycyclohex-2-en-1-one Traditional Name: 5-[4-(butylthio)phenyl]-3-hydroxy-cyclohex-2-en-1-one Formula: C16H20O2S MolecularWeight: 276.3938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C2CC(=CC(=O)C2)O

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C2CC(=CC(=O)C2)O

InChI

InChI=1S/C16H20O2S/c1-2-3-8-19-16-6-4-12(5-7-16)13-9-14(17)11-15(18)10-13/h4-7,11,13,17H,2-3,8-10H2,1H3