2-ethyl-2-[[3-(phenylcarbonyl)phenyl]sulfanylmethyl]hexanal

Systemtic Name: 2-ethyl-2-[[3-(phenylcarbonyl)phenyl]sulfanylmethyl]hexanal Openeye Name: 2-[(3-benzoylphenyl)sulfanylmethyl]-2-ethyl-hexanal CAS Name: 2-[[(3-benzoylphenyl)thio]methyl]-2-ethylhexanal IUPAC Name: 2-[(3-benzoylphenyl)sulfanylmethyl]-2-ethylhexanal Traditional Name: 2-[[(3-benzoylphenyl)thio]methyl]-2-ethyl-hexanal Formula: C22H26O2S MolecularWeight: 354.50564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CSC1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C=O

Isomeric SMILES

CCCCC(CC)(CSC1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C=O

InChI

InChI=1S/C22H26O2S/c1-3-5-14-22(4-2,16-23)17-25-20-13-9-12-19(15-20)21(24)18-10-7-6-8-11-18/h6-13,15-16H,3-5,14,17H2,1-2H3