(2-tridecanoyloxyphenyl) 4-nitrobenzoate

Systemtic Name: (2-tridecanoyloxyphenyl) 4-nitrobenzoate Openeye Name: (2-tridecanoyloxyphenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(1-oxotridecoxy)phenyl] ester IUPAC Name: (2-tridecanoyloxyphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-tridecanoyloxyphenyl) ester Formula: C26H33NO6 MolecularWeight: 455.54332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)OC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC(=O)OC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C26H33NO6/c1-2-3-4-5-6-7-8-9-10-11-16-25(28)32-23-14-12-13-15-24(23)33-26(29)21-17-19-22(20-18-21)27(30)31/h12-15,17-20H,2-11,16H2,1H3