1,3-dinitrooxypropan-2-yl 7-[(1R,2R,3R)-3-oxidanyl-5-oxidanylidene-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]heptanoate

Systemtic Name: 1,3-dinitrooxypropan-2-yl 7-[(1R,2R,3R)-3-oxidanyl-5-oxidanylidene-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]heptanoate Openeye Name: [2-nitrooxy-1-(nitrooxymethyl)ethyl] 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid 1,3-dinitrooxypropan-2-yl ester IUPAC Name: 1,3-dinitrooxypropan-2-yl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoate Traditional Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-keto-cyclopentyl]enanthic acid [2-nitrooxy-1-(nitrooxymethyl)ethyl] ester Formula: C23H38N2O11 MolecularWeight: 518.55462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])O)O

Isomeric SMILES

CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])O)O

InChI

InChI=1S/C23H38N2O11/c1-2-3-6-9-17(26)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)36-18(15-34-24(30)31)16-35-25(32)33/h12-13,17-20,22,26,28H,2-11,14-16H2,1H3/b13-12+/t17-,19+,20+,22+/m0/s1