2,6-ditert-butyl-3-[(4-nitrophenyl)-sulfonyl-methyl]phenol

Systemtic Name: 2,6-ditert-butyl-3-[(4-nitrophenyl)-sulfonyl-methyl]phenol Openeye Name: 2,6-ditert-butyl-3-[(4-nitrophenyl)-sulfonyl-methyl]phenol CAS Name: 2,6-ditert-butyl-3-[(4-nitrophenyl)-sulfonylmethyl]phenol IUPAC Name: 2,6-ditert-butyl-3-[(4-nitrophenyl)-sulfonylmethyl]phenol Traditional Name: 2,6-ditert-butyl-3-[(4-nitrophenyl)-sulfonyl-methyl]phenol Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-20(2,3)16-12-11-15(17(18(16)23)21(4,5)6)19(28(26)27)13-7-9-14(10-8-13)22(24)25/h7-12,23H,1-6H3