(6-tert-butyl-3-methyl-2,4-dinitro-phenyl) octadecanoate

Systemtic Name: (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) octadecanoate Openeye Name: (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) octadecanoate CAS Name: octadecanoic acid (6-tert-butyl-3-methyl-2,4-dinitrophenyl) ester IUPAC Name: (6-tert-butyl-3-methyl-2,4-dinitrophenyl) octadecanoate Traditional Name: stearic acid (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) ester Formula: C29H48N2O6 MolecularWeight: 520.70122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C(=C(C=C1C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C(=C(C=C1C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C29H48N2O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(32)37-28-24(29(3,4)5)22-25(30(33)34)23(2)27(28)31(35)36/h22H,6-21H2,1-5H3