6-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylhexanenitrile; 5-phenylsulfanylpentanenitrile

Systemtic Name: 6-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylhexanenitrile; 5-phenylsulfanylpentanenitrile Openeye Name: 6-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylhexanenitrile; 5-phenylsulfanylpentanenitrile CAS Name: 6-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]hexanenitrile; 5-(phenylthio)pentanenitrile IUPAC Name: 6-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanenitrile; 5-phenylsulfanylpentanenitrile Traditional Name: 6-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]hexanenitrile; 5-(phenylthio)valeronitrile Formula: C31H44N2OS2 MolecularWeight: 524.82386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCCCC#N.C1=CC=C(C=C1)SCCCCC#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCCCC#N.C1=CC=C(C=C1)SCCCCC#N

InChI

InChI=1S/C20H31NOS.C11H13NS/c1-19(2,3)16-13-15(23-12-10-8-7-9-11-21)14-17(18(16)22)20(4,5)6;12-9-5-2-6-10-13-11-7-3-1-4-8-11/h13-14,22H,7-10,12H2,1-6H3;1,3-4,7-8H,2,5-6,10H2