2-(phenylmethoxymethyl)-2-[(phenylmethylsulfanyl)methyl]pentanal

Systemtic Name: 2-(phenylmethoxymethyl)-2-[(phenylmethylsulfanyl)methyl]pentanal Openeye Name: 2-(benzyloxymethyl)-2-(benzylsulfanylmethyl)pentanal CAS Name: 2-(phenylmethoxymethyl)-2-[(phenylmethylthio)methyl]pentanal IUPAC Name: 2-(benzylsulfanylmethyl)-2-(phenylmethoxymethyl)pentanal Traditional Name: 2-(benzoxymethyl)-2-[(benzylthio)methyl]valeraldehyde Formula: C21H26O2S MolecularWeight: 342.49494

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(COCC1=CC=CC=C1)(CSCC2=CC=CC=C2)C=O

Isomeric SMILES

CCCC(COCC1=CC=CC=C1)(CSCC2=CC=CC=C2)C=O

InChI

InChI=1S/C21H26O2S/c1-2-13-21(16-22,17-23-14-19-9-5-3-6-10-19)18-24-15-20-11-7-4-8-12-20/h3-12,16H,2,13-15,17-18H2,1H3