(4-butoxy-2,3-dinitro-phenyl) 4-(4-pentylphenyl)benzoate

Systemtic Name: (4-butoxy-2,3-dinitro-phenyl) 4-(4-pentylphenyl)benzoate Openeye Name: (4-butoxy-2,3-dinitro-phenyl) 4-(4-pentylphenyl)benzoate CAS Name: 4-(4-pentylphenyl)benzoic acid (4-butoxy-2,3-dinitrophenyl) ester IUPAC Name: (4-butoxy-2,3-dinitrophenyl) 4-(4-pentylphenyl)benzoate Traditional Name: 4-(4-amylphenyl)benzoic acid (4-butoxy-2,3-dinitro-phenyl) ester Formula: C28H30N2O7 MolecularWeight: 506.547

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)OCCCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)OCCCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H30N2O7/c1-3-5-7-8-20-9-11-21(12-10-20)22-13-15-23(16-14-22)28(31)37-25-18-17-24(36-19-6-4-2)26(29(32)33)27(25)30(34)35/h9-18H,3-8,19H2,1-2H3