1-[2-oxidanyl-4-(5-oxidanyl-6-sulfanyl-hex-2-ynoxy)-3-propyl-phenyl]ethanone

Systemtic Name: 1-[2-oxidanyl-4-(5-oxidanyl-6-sulfanyl-hex-2-ynoxy)-3-propyl-phenyl]ethanone Openeye Name: 1-[2-hydroxy-4-(5-hydroxy-6-sulfanyl-hex-2-ynoxy)-3-propyl-phenyl]ethanone CAS Name: 1-[2-hydroxy-4-(5-hydroxy-6-mercaptohex-2-ynoxy)-3-propylphenyl]ethanone IUPAC Name: 1-[2-hydroxy-4-(5-hydroxy-6-sulfanylhex-2-ynoxy)-3-propylphenyl]ethanone Traditional Name: 1-[2-hydroxy-4-(5-hydroxy-6-mercapto-hex-2-ynoxy)-3-propyl-phenyl]ethanone Formula: C17H22O4S MolecularWeight: 322.41918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC#CCC(CS)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC#CCC(CS)O

InChI

InChI=1S/C17H22O4S/c1-3-6-15-16(9-8-14(12(2)18)17(15)20)21-10-5-4-7-13(19)11-22/h8-9,13,19-20,22H,3,6-7,10-11H2,1-2H3