2,6-ditert-butyl-5-[(4-nitrophenyl)methyl]-4-sulfonyl-cyclohexa-1,5-dien-1-ol

Systemtic Name: 2,6-ditert-butyl-5-[(4-nitrophenyl)methyl]-4-sulfonyl-cyclohexa-1,5-dien-1-ol Openeye Name: 2,6-ditert-butyl-5-[(4-nitrophenyl)methyl]-4-sulfonyl-cyclohexa-1,5-dien-1-ol CAS Name: 2,6-ditert-butyl-5-[(4-nitrophenyl)methyl]-4-sulfonyl-1-cyclohexa-1,5-dienol IUPAC Name: 2,6-ditert-butyl-5-[(4-nitrophenyl)methyl]-4-sulfonylcyclohexa-1,5-dien-1-ol Traditional Name: 2,6-ditert-butyl-5-(4-nitrobenzyl)-4-sulfonyl-cyclohexa-1,5-dien-1-ol Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C(=S(=O)=O)C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)C)O

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C(=S(=O)=O)C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)C)O

InChI

InChI=1S/C21H27NO5S/c1-20(2,3)16-12-17(28(26)27)15(18(19(16)23)21(4,5)6)11-13-7-9-14(10-8-13)22(24)25/h7-10,23H,11-12H2,1-6H3