tert-butyl 2,4-ditert-butyl-6-[methyl-(4-nitrophenyl)amino]sulfanyl-3-oxidanyl-benzoate

Systemtic Name: tert-butyl 2,4-ditert-butyl-6-[methyl-(4-nitrophenyl)amino]sulfanyl-3-oxidanyl-benzoate Openeye Name: tert-butyl 2,4-ditert-butyl-3-hydroxy-6-(N-methyl-4-nitro-anilino)sulfanyl-benzoate CAS Name: 2,4-ditert-butyl-3-hydroxy-6-[(N-methyl-4-nitroanilino)thio]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2,4-ditert-butyl-3-hydroxy-6-(N-methyl-4-nitroanilino)sulfanylbenzoate Traditional Name: 2,4-ditert-butyl-3-hydroxy-6-[(N-methyl-4-nitro-anilino)thio]benzoic acid tert-butyl ester Formula: C26H36N2O5S MolecularWeight: 488.63944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O5S/c1-24(2,3)18-15-19(34-27(10)16-11-13-17(14-12-16)28(31)32)20(23(30)33-26(7,8)9)21(22(18)29)25(4,5)6/h11-15,29H,1-10H3