(E,3S)-2,2-dimethyl-3-phenylmethoxy-7-phenylsulfanyl-hept-5-enal

Systemtic Name: (E,3S)-2,2-dimethyl-3-phenylmethoxy-7-phenylsulfanyl-hept-5-enal Openeye Name: (E,3S)-3-benzyloxy-2,2-dimethyl-7-phenylsulfanyl-hept-5-enal CAS Name: (E,3S)-2,2-dimethyl-3-phenylmethoxy-7-(phenylthio)-5-heptenal IUPAC Name: (E,3S)-2,2-dimethyl-3-phenylmethoxy-7-phenylsulfanylhept-5-enal Traditional Name: (E,3S)-3-benzoxy-2,2-dimethyl-7-(phenylthio)hept-5-enal Formula: C22H26O2S MolecularWeight: 354.50564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=O)C(CC=CCSC1=CC=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C=O)[C@H](C/C=C/CSC1=CC=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26O2S/c1-22(2,18-23)21(24-17-19-11-5-3-6-12-19)15-9-10-16-25-20-13-7-4-8-14-20/h3-14,18,21H,15-17H2,1-2H3/b10-9+/t21-/m0/s1