2-(3-nitro-4-oxidanyl-phenyl)ethyl octadecanoate

Systemtic Name: 2-(3-nitro-4-oxidanyl-phenyl)ethyl octadecanoate Openeye Name: 2-(4-hydroxy-3-nitro-phenyl)ethyl octadecanoate CAS Name: octadecanoic acid 2-(4-hydroxy-3-nitrophenyl)ethyl ester IUPAC Name: 2-(4-hydroxy-3-nitrophenyl)ethyl octadecanoate Traditional Name: stearic acid 2-(4-hydroxy-3-nitro-phenyl)ethyl ester Formula: C26H43NO5 MolecularWeight: 449.62332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCC1=CC(=C(C=C1)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCC1=CC(=C(C=C1)O)[N+](=O)[O-]

InChI

InChI=1S/C26H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(29)32-21-20-23-18-19-25(28)24(22-23)27(30)31/h18-19,22,28H,2-17,20-21H2,1H3