7-[4-ethanoyl-2-(methylsulfanylmethyl)-5-oxidanyl-phenoxy]heptanenitrile

Systemtic Name: 7-[4-ethanoyl-2-(methylsulfanylmethyl)-5-oxidanyl-phenoxy]heptanenitrile Openeye Name: 7-[4-acetyl-5-hydroxy-2-(methylsulfanylmethyl)phenoxy]heptanenitrile CAS Name: 7-[4-acetyl-5-hydroxy-2-[(methylthio)methyl]phenoxy]heptanenitrile IUPAC Name: 7-[4-acetyl-5-hydroxy-2-(methylsulfanylmethyl)phenoxy]heptanenitrile Traditional Name: 7-[4-acetyl-5-hydroxy-2-[(methylthio)methyl]phenoxy]enanthonitrile Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1O)OCCCCCCC#N)CSC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1O)OCCCCCCC#N)CSC

InChI

InChI=1S/C17H23NO3S/c1-13(19)15-10-14(12-22-2)17(11-16(15)20)21-9-7-5-3-4-6-8-18/h10-11,20H,3-7,9,12H2,1-2H3