(2-butan-2-yl-4,6-dinitro-phenyl) octadecanoate

Systemtic Name: (2-butan-2-yl-4,6-dinitro-phenyl) octadecanoate Openeye Name: (2,4-dinitro-6-sec-butyl-phenyl) octadecanoate CAS Name: octadecanoic acid (2-butan-2-yl-4,6-dinitrophenyl) ester IUPAC Name: (2-butan-2-yl-4,6-dinitrophenyl) octadecanoate Traditional Name: stearic acid (2,4-dinitro-6-sec-butyl-phenyl) ester Formula: C28H46N2O6 MolecularWeight: 506.67464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46N2O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(31)36-28-25(23(3)5-2)21-24(29(32)33)22-26(28)30(34)35/h21-23H,4-20H2,1-3H3