2-nitrooxypropyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoate

Systemtic Name: 2-nitrooxypropyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoate Openeye Name: 2-nitrooxypropyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenyl-pentyl]cyclopentyl]hept-5-enoate CAS Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoic acid 2-nitrooxypropyl ester IUPAC Name: 2-nitrooxypropyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate Traditional Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenyl-pentyl]cyclopentyl]hept-5-enoic acid 2-nitrooxypropyl ester Formula: C26H39NO8 MolecularWeight: 493.58976

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)CCCC=CCC1C(CC(C1CCC(CCC2=CC=CC=C2)O)O)O)O[N+](=O)[O-]

Isomeric SMILES

CC(COC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCC2=CC=CC=C2)O)O)O)O[N+](=O)[O-]

InChI

InChI=1S/C26H39NO8/c1-19(35-27(32)33)18-34-26(31)12-8-3-2-7-11-22-23(25(30)17-24(22)29)16-15-21(28)14-13-20-9-5-4-6-10-20/h2,4-7,9-10,19,21-25,28-30H,3,8,11-18H2,1H3/b7-2-/t19?,21-,22+,23+,24-,25+/m0/s1