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2,6-ditert-butyl-4-[3-[(4-nitrophenyl)methylsulfanyl]propyl]phenol

2,6-ditert-butyl-4-[3-[(4-nitrophenyl)methylsulfanyl]propyl]phenol

Systemtic Name:2,6-ditert-butyl-4-[3-[(4-nitrophenyl)methylsulfanyl]propyl]phenol
Openeye Name:2,6-ditert-butyl-4-[3-[(4-nitrophenyl)methylsulfanyl]propyl]phenol
CAS Name:2,6-ditert-butyl-4-[3-[(4-nitrophenyl)methylthio]propyl]phenol
IUPAC Name:2,6-ditert-butyl-4-[3-[(4-nitrophenyl)methylsulfanyl]propyl]phenol
Traditional Name:2,6-ditert-butyl-4-[3-[(4-nitrobenzyl)thio]propyl]phenol
Formula: C24H33NO3S
MolecularWeight: 415.58872
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC2=CC=C(C=C2)[N+](=O)[O-]


Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCC2=CC=C(C=C2)[N+](=O)[O-]


InChI

InChI=1S/C24H33NO3S/c1-23(2,3)20-14-18(15-21(22(20)26)24(4,5)6)8-7-13-29-16-17-9-11-19(12-10-17)25(27)28/h9-12,14-15,26H,7-8,13,16H2,1-6H3


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