[2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-oxidanyl-phenyl)ethyl]phenyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-oxidanyl-phenyl)ethyl]phenyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxy-phenyl)ethyl]phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenyl] ester IUPAC Name: [2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxy-phenyl)ethyl]phenyl] ester Formula: C37H48ClNO5 MolecularWeight: 622.23372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=CC(=C1)C(C)(C)C)C(C)(C)C)O)C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C1=C(C(=CC(=C1)C(C)(C)C)C(C)(C)C)O)C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C37H48ClNO5/c1-21(25-17-23(34(2,3)4)19-27(31(25)40)36(8,9)10)26-18-24(35(5,6)7)20-28(37(11,12)13)32(26)44-33(41)22-14-15-29(38)30(16-22)39(42)43/h14-21,40H,1-13H3