(E)-2-methyl-2-(phenylsulfanylmethyl)hept-4-enal

Systemtic Name: (E)-2-methyl-2-(phenylsulfanylmethyl)hept-4-enal Openeye Name: (E)-2-methyl-2-(phenylsulfanylmethyl)hept-4-enal CAS Name: (E)-2-methyl-2-[(phenylthio)methyl]-4-heptenal IUPAC Name: (E)-2-methyl-2-(phenylsulfanylmethyl)hept-4-enal Traditional Name: (E)-2-methyl-2-[(phenylthio)methyl]hept-4-enal Formula: C15H20OS MolecularWeight: 248.3837

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC(C)(CSC1=CC=CC=C1)C=O

Isomeric SMILES

CC/C=C/CC(C)(CSC1=CC=CC=C1)C=O

InChI

InChI=1S/C15H20OS/c1-3-4-8-11-15(2,12-16)13-17-14-9-6-5-7-10-14/h4-10,12H,3,11,13H2,1-2H3/b8-4+