1-[2-oxidanyl-3-propyl-4-(3-sulfanylpropoxy)phenyl]ethanone

Systemtic Name: 1-[2-oxidanyl-3-propyl-4-(3-sulfanylpropoxy)phenyl]ethanone Openeye Name: 1-[2-hydroxy-3-propyl-4-(3-sulfanylpropoxy)phenyl]ethanone CAS Name: 1-[2-hydroxy-4-(3-mercaptopropoxy)-3-propylphenyl]ethanone IUPAC Name: 1-[2-hydroxy-3-propyl-4-(3-sulfanylpropoxy)phenyl]ethanone Traditional Name: 1-[2-hydroxy-4-(3-mercaptopropoxy)-3-propyl-phenyl]ethanone Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS

InChI

InChI=1S/C14H20O3S/c1-3-5-12-13(17-8-4-9-18)7-6-11(10(2)15)14(12)16/h6-7,16,18H,3-5,8-9H2,1-2H3