ethyl 3,3-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-nitro-propanoate

Systemtic Name: ethyl 3,3-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-nitro-propanoate Openeye Name: ethyl 3,3-bis(3,5-ditert-butyl-4-hydroxy-phenyl)-2-nitro-propanoate CAS Name: 3,3-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2-nitropropanoic acid ethyl ester IUPAC Name: ethyl 3,3-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2-nitropropanoate Traditional Name: 3,3-bis(3,5-ditert-butyl-4-hydroxy-phenyl)-2-nitro-propionic acid ethyl ester Formula: C33H49NO6 MolecularWeight: 555.74526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H49NO6/c1-14-40-29(37)26(34(38)39)25(19-15-21(30(2,3)4)27(35)22(16-19)31(5,6)7)20-17-23(32(8,9)10)28(36)24(18-20)33(11,12)13/h15-18,25-26,35-36H,14H2,1-13H3