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

Systemtic Name: (2S,3S)-3-methyl-2,4,4-tris(phenylsulfanyl)heptanal Openeye Name: (2S,3S)-3-methyl-2,4,4-tris(phenylsulfanyl)heptanal CAS Name: (2S,3S)-3-methyl-2,4,4-tris(phenylthio)heptanal IUPAC Name: (2S,3S)-3-methyl-2,4,4-tris(phenylsulfanyl)heptanal Traditional Name: (2S,3S)-3-methyl-2,4,4-tris(phenylthio)enanthaldehyde Formula: C26H28OS3 MolecularWeight: 452.69492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28OS3/c1-3-19-26(29-23-15-9-5-10-16-23,30-24-17-11-6-12-18-24)21(2)25(20-27)28-22-13-7-4-8-14-22/h4-18,20-21,25H,3,19H2,1-2H3/t21-,25+/m0/s1