7-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylheptanenitrile

Systemtic Name: 7-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylheptanenitrile Openeye Name: 7-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylheptanenitrile CAS Name: 7-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]heptanenitrile IUPAC Name: 7-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylheptanenitrile Traditional Name: 7-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]enanthonitrile Formula: C21H33NOS MolecularWeight: 347.55782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCCCCC#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCCCCC#N

InChI

InChI=1S/C21H33NOS/c1-20(2,3)17-14-16(15-18(19(17)23)21(4,5)6)24-13-11-9-7-8-10-12-22/h14-15,23H,7-11,13H2,1-6H3