(4R,6aR,9aS,9bR)-8-[3,5-bis(trifluoromethyl)phenyl]-4-[(3E,4Z)-4-(3-fluoranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-(1H-pyridin-2-ylidene)butyl]-5-(methoxymethyl)-2-oxidanyl-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione

Systemtic Name: (4R,6aR,9aS,9bR)-8-[3,5-bis(trifluoromethyl)phenyl]-4-[(3E,4Z)-4-(3-fluoranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-(1H-pyridin-2-ylidene)butyl]-5-(methoxymethyl)-2-oxidanyl-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione Openeye Name: (4R,6aR,9aS,9bR)-8-[3,5-bis(trifluoromethyl)phenyl]-4-[(3E,4Z)-4-(3-fluoro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3-(1H-pyridin-2-ylidene)butyl]-2-hydroxy-5-(methoxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione CAS Name: (4R,6aR,9aS,9bR)-8-[3,5-bis(trifluoromethyl)phenyl]-4-[(3E,4Z)-4-(3-fluoro-4-oxo-1-cyclohexa-2,5-dienylidene)-3-(1H-pyridin-2-ylidene)butyl]-2-hydroxy-5-(methoxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-8-[3,5-bis(trifluoromethyl)phenyl]-4-[(3E,4Z)-4-(3-fluoro-4-oxocyclohexa-2,5-dien-1-ylidene)-3-(1H-pyridin-2-ylidene)butyl]-2-hydroxy-5-(methoxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione Traditional Name: (4R,6aR,9aS,9bR)-8-[3,5-bis(trifluoromethyl)phenyl]-4-[(3E,4Z)-4-(3-fluoro-4-keto-cyclohexa-2,5-dien-1-ylidene)-3-(1H-pyridin-2-ylidene)butyl]-2-hydroxy-5-(methoxymethyl)-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C35H30BF7N2O6 MolecularWeight: 718.422322

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=C4C=CC=CN4)C=C5C=CC(=O)C(=C5)F)COC)C(=O)N(C3=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)O

Isomeric SMILES

B1(C[C@@H]2[C@H]3[C@@H](CC(=C2[C@H](O1)CC/C(=C\4/C=CC=CN4)/C=C\5/C=CC(=O)C(=C5)F)COC)C(=O)N(C3=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)O

InChI

InChI=1S/C35H30BF7N2O6/c1-50-17-20-12-24-31(33(48)45(32(24)47)23-14-21(34(38,39)40)13-22(15-23)35(41,42)43)25-16-36(49)51-29(30(20)25)8-6-19(27-4-2-3-9-44-27)10-18-5-7-28(46)26(37)11-18/h2-5,7,9-11,13-15,24-25,29,31,44,49H,6,8,12,16-17H2,1H3/b18-10-,27-19+/t24-,25+,29-,31-/m1/s1