3-(5-bromanyl-2-oxidanyl-phenyl)sulfanylpropanal

Systemtic Name: 3-(5-bromanyl-2-oxidanyl-phenyl)sulfanylpropanal Openeye Name: 3-(5-bromo-2-hydroxy-phenyl)sulfanylpropanal CAS Name: 3-[(5-bromo-2-hydroxyphenyl)thio]propanal IUPAC Name: 3-(5-bromo-2-hydroxyphenyl)sulfanylpropanal Traditional Name: 3-[(5-bromo-2-hydroxy-phenyl)thio]propionaldehyde Formula: C9H9BrO2S MolecularWeight: 261.13556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)SCCC=O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)SCCC=O)O

InChI

InChI=1S/C9H9BrO2S/c10-7-2-3-8(12)9(6-7)13-5-1-4-11/h2-4,6,12H,1,5H2