1-[4-(4-bromanyl-5-sulfanyl-pentoxy)-2-oxidanyl-3-propyl-phenyl]ethanone

Systemtic Name: 1-[4-(4-bromanyl-5-sulfanyl-pentoxy)-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[4-(4-bromo-5-sulfanyl-pentoxy)-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[4-(4-bromo-5-mercaptopentoxy)-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[4-(4-bromo-5-sulfanylpentoxy)-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[4-(4-bromo-5-mercapto-pentoxy)-2-hydroxy-3-propyl-phenyl]ethanone Formula: C16H23BrO3S MolecularWeight: 375.32102

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC(CS)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC(CS)Br

InChI

InChI=1S/C16H23BrO3S/c1-3-5-14-15(20-9-4-6-12(17)10-21)8-7-13(11(2)18)16(14)19/h7-8,12,19,21H,3-6,9-10H2,1-2H3