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6-dodecoxy-3-nitro-chromen-2-one

6-dodecoxy-3-nitro-chromen-2-one

Systemtic Name:6-dodecoxy-3-nitro-chromen-2-one
Openeye Name:6-dodecoxy-3-nitro-chromen-2-one
CAS Name:6-dodecoxy-3-nitro-1-benzopyran-2-one
IUPAC Name:6-dodecoxy-3-nitrochromen-2-one
Traditional Name:6-lauryloxy-3-nitro-coumarin
Formula: C21H29NO5
MolecularWeight: 375.45866
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H29NO5/c1-2-3-4-5-6-7-8-9-10-11-14-26-18-12-13-20-17(15-18)16-19(22(24)25)21(23)27-20/h12-13,15-16H,2-11,14H2,1H3


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