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

Systemtic Name: [(E)-3-(2,6-diethylphenyl)-2-methyl-6-(5-methylfuran-2-yl)-4-oxidanylidene-hex-5-enyl] nitrate Openeye Name: [(E)-3-(2,6-diethylphenyl)-2-methyl-6-(5-methyl-2-furyl)-4-oxo-hex-5-enyl] nitrate CAS Name: nitric acid [(E)-3-(2,6-diethylphenyl)-2-methyl-6-(5-methyl-2-furanyl)-4-oxohex-5-enyl] ester IUPAC Name: [(E)-3-(2,6-diethylphenyl)-2-methyl-6-(5-methylfuran-2-yl)-4-oxohex-5-enyl] nitrate Traditional Name: nitric acid [(E)-3-(2,6-diethylphenyl)-4-keto-2-methyl-6-(5-methyl-2-furyl)hex-5-enyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)C(C(C)CO[N+](=O)[O-])C(=O)C=CC2=CC=C(O2)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)C(C(C)CO[N+](=O)[O-])C(=O)/C=C/C2=CC=C(O2)C

InChI

InChI=1S/C22H27NO5/c1-5-17-8-7-9-18(6-2)22(17)21(15(3)14-27-23(25)26)20(24)13-12-19-11-10-16(4)28-19/h7-13,15,21H,5-6,14H2,1-4H3/b13-12+