2-nitrooxyethyl 7-[3-oxidanyl-5-oxidanylidene-2-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]heptanoate

Systemtic Name: 2-nitrooxyethyl 7-[3-oxidanyl-5-oxidanylidene-2-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]heptanoate Openeye Name: 2-nitrooxyethyl 7-[3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid 2-nitrooxyethyl ester IUPAC Name: 2-nitrooxyethyl 7-[3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoate Traditional Name: 7-[3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-keto-cyclopentyl]enanthic acid 2-nitrooxyethyl ester Formula: C22H37NO8 MolecularWeight: 443.53108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(/C=C/C1C(CC(=O)C1CCCCCCC(=O)OCCO[N+](=O)[O-])O)O

InChI

InChI=1S/C22H37NO8/c1-2-3-6-9-17(24)12-13-19-18(20(25)16-21(19)26)10-7-4-5-8-11-22(27)30-14-15-31-23(28)29/h12-13,17-19,21,24,26H,2-11,14-16H2,1H3/b13-12+