2-nitrohexyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-methyl-propanoate

Systemtic Name: 2-nitrohexyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-methyl-propanoate Openeye Name: 2-nitrohexyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-methyl-propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylpropanoic acid 2-nitrohexyl ester IUPAC Name: 2-nitrohexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylpropanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-methyl-propionic acid 2-nitrohexyl ester Formula: C24H39NO5 MolecularWeight: 421.57016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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