4-nitrooxybutyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-(3-oxidanylidenedecyl)cyclopentyl]hept-5-enoate

Systemtic Name: 4-nitrooxybutyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-(3-oxidanylidenedecyl)cyclopentyl]hept-5-enoate Openeye Name: 4-nitrooxybutyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate CAS Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]-5-heptenoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate Traditional Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-ketodecyl)cyclopentyl]hept-5-enoic acid 4-nitrooxybutyl ester Formula: C26H45NO8 MolecularWeight: 499.6374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)OCCCCO[N+](=O)[O-])O)O

Isomeric SMILES

CCCCCCCC(=O)CC[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCCCO[N+](=O)[O-])O)O

InChI

InChI=1S/C26H45NO8/c1-2-3-4-5-8-13-21(28)16-17-23-22(24(29)20-25(23)30)14-9-6-7-10-15-26(31)34-18-11-12-19-35-27(32)33/h6,9,22-25,29-30H,2-5,7-8,10-20H2,1H3/b9-6-/t22-,23-,24+,25-/m1/s1