[2-methoxy-4-[(E)-3-[3-(nitrooxymethyl)phenoxy]-3-oxidanylidene-prop-1-enyl]phenyl] (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoate

Systemtic Name: [2-methoxy-4-[(E)-3-[3-(nitrooxymethyl)phenoxy]-3-oxidanylidene-prop-1-enyl]phenyl] (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoate Openeye Name: [2-methoxy-4-[(E)-3-[3-(nitrooxymethyl)phenoxy]-3-oxo-prop-1-enyl]phenyl] (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-methoxy-4-[(E)-3-[3-(nitrooxymethyl)phenoxy]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-[3-(nitrooxymethyl)phenoxy]-3-oxoprop-1-enyl]phenyl] (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 [4-[(E)-3-keto-3-[3-(nitrooxymethyl)phenoxy]prop-1-enyl]-2-methoxy-phenyl] ester Formula: C40H47NO11 MolecularWeight: 717.80128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-])OC(=O)CCCC=CCC3C(CC(C3CCC(CCC4=CC=CC=C4)O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-])OC(=O)CCC/C=C\C[C@H]3[C@H](C[C@H]([C@@H]3CC[C@H](CCC4=CC=CC=C4)O)O)O

InChI

InChI=1S/C40H47NO11/c1-49-38-25-29(18-23-40(46)51-32-13-9-12-30(24-32)27-50-41(47)48)17-22-37(38)52-39(45)15-8-3-2-7-14-33-34(36(44)26-35(33)43)21-20-31(42)19-16-28-10-5-4-6-11-28/h2,4-7,9-13,17-18,22-25,31,33-36,42-44H,3,8,14-16,19-21,26-27H2,1H3/b7-2-,23-18+/t31-,33+,34+,35-,36+/m0/s1