(2-dodecanoyloxyphenyl) 4-nitrobenzoate

Systemtic Name: (2-dodecanoyloxyphenyl) 4-nitrobenzoate Openeye Name: (2-dodecanoyloxyphenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(1-oxododecoxy)phenyl] ester IUPAC Name: (2-dodecanoyloxyphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-lauroyloxyphenyl) ester Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO6/c1-2-3-4-5-6-7-8-9-10-15-24(27)31-22-13-11-12-14-23(22)32-25(28)20-16-18-21(19-17-20)26(29)30/h11-14,16-19H,2-10,15H2,1H3