(3-nitro-2-oxidanylidene-chromen-8-yl) hexadecanoate

Systemtic Name: (3-nitro-2-oxidanylidene-chromen-8-yl) hexadecanoate Openeye Name: (3-nitro-2-oxo-chromen-8-yl) hexadecanoate CAS Name: hexadecanoic acid (3-nitro-2-oxo-1-benzopyran-8-yl) ester IUPAC Name: (3-nitro-2-oxochromen-8-yl) hexadecanoate Traditional Name: palmitic acid (2-keto-3-nitro-chromen-8-yl) ester Formula: C25H35NO6 MolecularWeight: 445.5485

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CC=CC2=C1OC(=O)C(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC=CC2=C1OC(=O)C(=C2)[N+](=O)[O-]

InChI

InChI=1S/C25H35NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(27)31-22-17-15-16-20-19-21(26(29)30)25(28)32-24(20)22/h15-17,19H,2-14,18H2,1H3