(3R,4S)-5-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)-4-sulfanyl-pentanal

Systemtic Name: (3R,4S)-5-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)-4-sulfanyl-pentanal Openeye Name: (3R,4S)-5-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)-4-sulfanyl-pentanal CAS Name: (3R,4S)-5-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)-4-mercaptopentanal IUPAC Name: (3R,4S)-5-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)-4-sulfanylpentanal Traditional Name: (3R,4S)-5-(4-bromobenzyl)oxy-4-mercapto-3-methylol-valeraldehyde Formula: C13H17BrO3S MolecularWeight: 333.24128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COCC(C(CC=O)CO)S)Br

Isomeric SMILES

C1=CC(=CC=C1COC[C@H]([C@H](CC=O)CO)S)Br

InChI

InChI=1S/C13H17BrO3S/c14-12-3-1-10(2-4-12)8-17-9-13(18)11(7-16)5-6-15/h1-4,6,11,13,16,18H,5,7-9H2/t11-,13-/m1/s1