(2S,3S)-3-methyl-2,4,4-tris(phenylsulfanyl)hexanal

Systemtic Name: (2S,3S)-3-methyl-2,4,4-tris(phenylsulfanyl)hexanal Openeye Name: (2S,3S)-3-methyl-2,4,4-tris(phenylsulfanyl)hexanal CAS Name: (2S,3S)-3-methyl-2,4,4-tris(phenylthio)hexanal IUPAC Name: (2S,3S)-3-methyl-2,4,4-tris(phenylsulfanyl)hexanal Traditional Name: (2S,3S)-3-methyl-2,4,4-tris(phenylthio)hexanal Formula: C25H26OS3 MolecularWeight: 438.66834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(C=O)SC1=CC=CC=C1)(SC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCC([C@@H](C)[C@@H](C=O)SC1=CC=CC=C1)(SC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C25H26OS3/c1-3-25(28-22-15-9-5-10-16-22,29-23-17-11-6-12-18-23)20(2)24(19-26)27-21-13-7-4-8-14-21/h4-20,24H,3H2,1-2H3/t20-,24+/m0/s1