2-nitropentyl 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]pentanoate

Systemtic Name: 2-nitropentyl 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]pentanoate Openeye Name: 2-nitropentyl 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]pentanoate CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]pentanoic acid 2-nitropentyl ester IUPAC Name: 2-nitropentyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]pentanoate Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)valeric acid 2-nitropentyl ester Formula: C25H41NO5 MolecularWeight: 435.59674

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)OCC(CCC)[N+](=O)[O-]

Isomeric SMILES

CCCC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)OCC(CCC)[N+](=O)[O-]

InChI

InChI=1S/C25H41NO5/c1-9-11-18(23(28)31-16-19(12-10-2)26(29)30)13-17-14-20(24(3,4)5)22(27)21(15-17)25(6,7)8/h14-15,18-19,27H,9-13,16H2,1-8H3