2-(2-nitrooxyethylsulfanyl)ethyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoate

Systemtic Name: 2-(2-nitrooxyethylsulfanyl)ethyl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoate Openeye Name: 2-(2-nitrooxyethylsulfanyl)ethyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoate CAS Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]-5-heptenoic acid 2-(2-nitrooxyethylthio)ethyl ester IUPAC Name: 2-(2-nitrooxyethylsulfanyl)ethyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoate Traditional Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentyl]hept-5-enoic acid 2-(2-nitrooxyethylthio)ethyl ester Formula: C27H38F3NO9S MolecularWeight: 609.65213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C1O)CC=CCCCC(=O)OCCSCCO[N+](=O)[O-])CCC(COC2=CC=CC(=C2)C(F)(F)F)O)O

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@H]1O)C/C=C\CCCC(=O)OCCSCCO[N+](=O)[O-])CC[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)O

InChI

InChI=1S/C27H38F3NO9S/c28-27(29,30)19-6-5-7-21(16-19)39-18-20(32)10-11-23-22(24(33)17-25(23)34)8-3-1-2-4-9-26(35)38-12-14-41-15-13-40-31(36)37/h1,3,5-7,16,20,22-25,32-34H,2,4,8-15,17-18H2/b3-1-/t20-,22-,23-,24+,25-/m1/s1