(2-methanoyl-4-nitro-phenoxy)methyl docosanoate

Systemtic Name: (2-methanoyl-4-nitro-phenoxy)methyl docosanoate Openeye Name: (2-formyl-4-nitro-phenoxy)methyl docosanoate CAS Name: docosanoic acid (2-formyl-4-nitrophenoxy)methyl ester IUPAC Name: (2-formyl-4-nitrophenoxy)methyl docosanoate Traditional Name: behenic acid (2-formyl-4-nitro-phenoxy)methyl ester Formula: C30H49NO6 MolecularWeight: 519.71316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCOC1=C(C=C(C=C1)[N+](=O)[O-])C=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCOC1=C(C=C(C=C1)[N+](=O)[O-])C=O

InChI

InChI=1S/C30H49NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(33)37-26-36-29-23-22-28(31(34)35)24-27(29)25-32/h22-25H,2-21,26H2,1H3