2,6-ditert-butyl-4-[(2,4-dinitrophenyl)methylsulfanyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[(2,4-dinitrophenyl)methylsulfanyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(2,4-dinitrophenyl)methylsulfanyl]phenol CAS Name: 2,6-ditert-butyl-4-[(2,4-dinitrophenyl)methylthio]phenol IUPAC Name: 2,6-ditert-butyl-4-[(2,4-dinitrophenyl)methylsulfanyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(2,4-dinitrobenzyl)thio]phenol Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O5S/c1-20(2,3)16-10-15(11-17(19(16)24)21(4,5)6)29-12-13-7-8-14(22(25)26)9-18(13)23(27)28/h7-11,24H,12H2,1-6H3