(4-dodecoxy-2-nitro-phenyl) 2-phenylethanoate

Systemtic Name: (4-dodecoxy-2-nitro-phenyl) 2-phenylethanoate Openeye Name: (4-dodecoxy-2-nitro-phenyl) 2-phenylacetate CAS Name: 2-phenylacetic acid (4-dodecoxy-2-nitrophenyl) ester IUPAC Name: (4-dodecoxy-2-nitrophenyl) 2-phenylacetate Traditional Name: 2-phenylacetic acid (4-lauryloxy-2-nitro-phenyl) ester Formula: C26H35NO5 MolecularWeight: 441.5598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)OC(=O)CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)OC(=O)CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C26H35NO5/c1-2-3-4-5-6-7-8-9-10-14-19-31-23-17-18-25(24(21-23)27(29)30)32-26(28)20-22-15-12-11-13-16-22/h11-13,15-18,21H,2-10,14,19-20H2,1H3