(2,4-dinitrophenyl)methyl 5-(4-octoxyphenyl)carbonyloxy-2-oxidanyl-benzoate

Systemtic Name: (2,4-dinitrophenyl)methyl 5-(4-octoxyphenyl)carbonyloxy-2-oxidanyl-benzoate Openeye Name: (2,4-dinitrophenyl)methyl 2-hydroxy-5-(4-octoxybenzoyl)oxy-benzoate CAS Name: 2-hydroxy-5-[(4-octoxyphenyl)-oxomethoxy]benzoic acid (2,4-dinitrophenyl)methyl ester IUPAC Name: (2,4-dinitrophenyl)methyl 2-hydroxy-5-(4-octoxybenzoyl)oxybenzoate Traditional Name: 2-hydroxy-5-(4-octoxybenzoyl)oxy-benzoic acid (2,4-dinitrobenzyl) ester Formula: C29H30N2O10 MolecularWeight: 566.5559

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)O)C(=O)OCC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)O)C(=O)OCC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C29H30N2O10/c1-2-3-4-5-6-7-16-39-23-12-9-20(10-13-23)28(33)41-24-14-15-27(32)25(18-24)29(34)40-19-21-8-11-22(30(35)36)17-26(21)31(37)38/h8-15,17-18,32H,2-7,16,19H2,1H3