[(E)-3-(2-ethyl-6-methyl-phenyl)-2-methyl-6-(5-methylfuran-2-yl)-4-oxidanylidene-hex-5-enyl] nitrate

Systemtic Name: [(E)-3-(2-ethyl-6-methyl-phenyl)-2-methyl-6-(5-methylfuran-2-yl)-4-oxidanylidene-hex-5-enyl] nitrate Openeye Name: [(E)-3-(2-ethyl-6-methyl-phenyl)-2-methyl-6-(5-methyl-2-furyl)-4-oxo-hex-5-enyl] nitrate CAS Name: nitric acid [(E)-3-(2-ethyl-6-methylphenyl)-2-methyl-6-(5-methyl-2-furanyl)-4-oxohex-5-enyl] ester IUPAC Name: [(E)-3-(2-ethyl-6-methylphenyl)-2-methyl-6-(5-methylfuran-2-yl)-4-oxohex-5-enyl] nitrate Traditional Name: nitric acid [(E)-3-(2-ethyl-6-methyl-phenyl)-4-keto-2-methyl-6-(5-methyl-2-furyl)hex-5-enyl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1C(C(C)CO[N+](=O)[O-])C(=O)C=CC2=CC=C(O2)C)C

Isomeric SMILES

CCC1=CC=CC(=C1C(C(C)CO[N+](=O)[O-])C(=O)/C=C/C2=CC=C(O2)C)C

InChI

InChI=1S/C21H25NO5/c1-5-17-8-6-7-14(2)20(17)21(15(3)13-26-22(24)25)19(23)12-11-18-10-9-16(4)27-18/h6-12,15,21H,5,13H2,1-4H3/b12-11+