(2,3-dinitro-4-pentyl-phenyl) 4-pentoxycyclohexane-1-carboxylate

Systemtic Name: (2,3-dinitro-4-pentyl-phenyl) 4-pentoxycyclohexane-1-carboxylate Openeye Name: (2,3-dinitro-4-pentyl-phenyl) 4-pentoxycyclohexanecarboxylate CAS Name: 4-pentoxy-1-cyclohexanecarboxylic acid (2,3-dinitro-4-pentylphenyl) ester IUPAC Name: (2,3-dinitro-4-pentylphenyl) 4-pentoxycyclohexane-1-carboxylate Traditional Name: 4-amoxycyclohexanecarboxylic acid (4-amyl-2,3-dinitro-phenyl) ester Formula: C23H34N2O7 MolecularWeight: 450.52526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)OCCCCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)OCCCCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H34N2O7/c1-3-5-7-9-17-12-15-20(22(25(29)30)21(17)24(27)28)32-23(26)18-10-13-19(14-11-18)31-16-8-6-4-2/h12,15,18-19H,3-11,13-14,16H2,1-2H3