[2-(5-methyl-2-propan-2-yl-cyclohexyl)-3-oxidanyl-5-pentyl-phenyl] 2,4-dinitrobenzoate

Systemtic Name: [2-(5-methyl-2-propan-2-yl-cyclohexyl)-3-oxidanyl-5-pentyl-phenyl] 2,4-dinitrobenzoate Openeye Name: [3-hydroxy-2-(2-isopropyl-5-methyl-cyclohexyl)-5-pentyl-phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [3-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)-5-pentylphenyl] ester IUPAC Name: [3-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)-5-pentylphenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [5-amyl-3-hydroxy-2-(2-isopropyl-5-methyl-cyclohexyl)phenyl] ester Formula: C28H36N2O7 MolecularWeight: 512.59464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3CC(CCC3C(C)C)C)O

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3CC(CCC3C(C)C)C)O

InChI

InChI=1S/C28H36N2O7/c1-5-6-7-8-19-14-25(31)27(23-13-18(4)9-11-21(23)17(2)3)26(15-19)37-28(32)22-12-10-20(29(33)34)16-24(22)30(35)36/h10,12,14-18,21,23,31H,5-9,11,13H2,1-4H3