[3-nitrooxy-2-(4-nitrooxybutanoyloxy)propyl] (Z)-7-[(1R,2R,3R,5S)-2-[(3R)-4-(3-chloranylphenoxy)-3-oxidanyl-butyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoate

Systemtic Name: [3-nitrooxy-2-(4-nitrooxybutanoyloxy)propyl] (Z)-7-[(1R,2R,3R,5S)-2-[(3R)-4-(3-chloranylphenoxy)-3-oxidanyl-butyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoate Openeye Name: [3-nitrooxy-2-(4-nitrooxybutanoyloxy)propyl] (Z)-7-[(1R,2R,3R,5S)-2-[(3R)-4-(3-chlorophenoxy)-3-hydroxy-butyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoate CAS Name: (Z)-7-[(1R,2R,3R,5S)-2-[(3R)-4-(3-chlorophenoxy)-3-hydroxybutyl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid [3-nitrooxy-2-(4-nitrooxy-1-oxobutoxy)propyl] ester IUPAC Name: [3-nitrooxy-2-(4-nitrooxybutanoyloxy)propyl] (Z)-7-[(1R,2R,3R,5S)-2-[(3R)-4-(3-chlorophenoxy)-3-hydroxybutyl]-3,5-dihydroxycyclopentyl]hept-5-enoate Traditional Name: (Z)-7-[(1R,2R,3R,5S)-2-[(3R)-4-(3-chlorophenoxy)-3-hydroxy-butyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid [3-nitrooxy-2-(4-nitrooxybutanoyloxy)propyl] ester Formula: C29H41ClN2O14 MolecularWeight: 677.09384

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C1O)CC=CCCCC(=O)OCC(CO[N+](=O)[O-])OC(=O)CCCO[N+](=O)[O-])CCC(COC2=CC(=CC=C2)Cl)O)O

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@H]1O)C/C=C\CCCC(=O)OCC(CO[N+](=O)[O-])OC(=O)CCCO[N+](=O)[O-])CC[C@H](COC2=CC(=CC=C2)Cl)O)O

InChI

InChI=1S/C29H41ClN2O14/c30-20-7-5-8-22(15-20)42-17-21(33)12-13-25-24(26(34)16-27(25)35)9-3-1-2-4-10-28(36)43-18-23(19-45-32(40)41)46-29(37)11-6-14-44-31(38)39/h1,3,5,7-8,15,21,23-27,33-35H,2,4,6,9-14,16-19H2/b3-1-/t21-,23?,24-,25-,26+,27-/m1/s1