(2E)-3,7-dimethyl-5-phenylsulfanyl-octa-2,6-dienal

Systemtic Name: (2E)-3,7-dimethyl-5-phenylsulfanyl-octa-2,6-dienal Openeye Name: (2E)-3,7-dimethyl-5-phenylsulfanyl-octa-2,6-dienal CAS Name: (2E)-3,7-dimethyl-5-(phenylthio)octa-2,6-dienal IUPAC Name: (2E)-3,7-dimethyl-5-phenylsulfanylocta-2,6-dienal Traditional Name: (2E)-3,7-dimethyl-5-(phenylthio)octa-2,6-dienal Formula: C16H20OS MolecularWeight: 260.3944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(CC(=CC=O)C)SC1=CC=CC=C1)C

Isomeric SMILES

CC(=CC(C/C(=C/C=O)/C)SC1=CC=CC=C1)C

InChI

InChI=1S/C16H20OS/c1-13(2)11-16(12-14(3)9-10-17)18-15-7-5-4-6-8-15/h4-11,16H,12H2,1-3H3/b14-9+