(3-nitro-2-oxidanylidene-chromen-7-yl) hexadecanoate

Systemtic Name: (3-nitro-2-oxidanylidene-chromen-7-yl) hexadecanoate Openeye Name: (3-nitro-2-oxo-chromen-7-yl) hexadecanoate CAS Name: hexadecanoic acid (3-nitro-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3-nitro-2-oxochromen-7-yl) hexadecanoate Traditional Name: palmitic acid (2-keto-3-nitro-chromen-7-yl) ester Formula: C25H35NO6 MolecularWeight: 445.5485

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)[N+](=O)[O-]

InChI

InChI=1S/C25H35NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(27)31-21-17-16-20-18-22(26(29)30)25(28)32-23(20)19-21/h16-19H,2-15H2,1H3