(2-tetradecanoyloxyphenyl) 4-nitrobenzoate

Systemtic Name: (2-tetradecanoyloxyphenyl) 4-nitrobenzoate Openeye Name: (2-tetradecanoyloxyphenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(1-oxotetradecoxy)phenyl] ester IUPAC Name: (2-tetradecanoyloxyphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-tetradecanoyloxyphenyl) ester Formula: C27H35NO6 MolecularWeight: 469.5699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO6/c1-2-3-4-5-6-7-8-9-10-11-12-17-26(29)33-24-15-13-14-16-25(24)34-27(30)22-18-20-23(21-19-22)28(31)32/h13-16,18-21H,2-12,17H2,1H3