ditert-butyl 2-(3,5-dinitrophenyl)carbonyl-2-hexadecyl-propanedioate

Systemtic Name: ditert-butyl 2-(3,5-dinitrophenyl)carbonyl-2-hexadecyl-propanedioate Openeye Name: ditert-butyl 2-(3,5-dinitrobenzoyl)-2-hexadecyl-propanedioate CAS Name: 2-[(3,5-dinitrophenyl)-oxomethyl]-2-hexadecylpropanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(3,5-dinitrobenzoyl)-2-hexadecylpropanedioate Traditional Name: 2-cetyl-2-(3,5-dinitrobenzoyl)malonic acid ditert-butyl ester Formula: C34H54N2O9 MolecularWeight: 634.80056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C34H54N2O9/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34(30(38)44-32(2,3)4,31(39)45-33(5,6)7)29(37)26-23-27(35(40)41)25-28(24-26)36(42)43/h23-25H,8-22H2,1-7H3