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

Systemtic Name: 2-nitropentyl 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]butanoate Openeye Name: 2-nitropentyl 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]butanoate CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanoic acid 2-nitropentyl ester IUPAC Name: 2-nitropentyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]butanoate Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)butyric acid 2-nitropentyl ester Formula: C24H39NO5 MolecularWeight: 421.57016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39NO5/c1-9-11-18(25(28)29)15-30-22(27)17(10-2)12-16-13-19(23(3,4)5)21(26)20(14-16)24(6,7)8/h13-14,17-18,26H,9-12,15H2,1-8H3