(4R,6aR,9aS,9bR)-8-[3,5-bis(trifluoromethyl)phenyl]-4-[(3E)-3-[(2-chloranyl-4-oxidanyl-phenyl)methylidene]hexyl]-2-oxidanyl-5-propan-2-yl-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)-3-[(2-chloranyl-4-oxidanyl-phenyl)methylidene]hexyl]-2-oxidanyl-5-propan-2-yl-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)-3-[(2-chloro-4-hydroxy-phenyl)methylene]hexyl]-2-hydroxy-5-isopropyl-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)-3-[(2-chloro-4-hydroxyphenyl)methylidene]hexyl]-2-hydroxy-5-propan-2-yl-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)-3-[(2-chloro-4-hydroxyphenyl)methylidene]hexyl]-2-hydroxy-5-propan-2-yl-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-[(E)-4-(2-chloro-4-hydroxy-phenyl)-3-propyl-but-3-enyl]-2-hydroxy-5-isopropyl-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C34H35BClF6NO5 MolecularWeight: 697.899819

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=CC4=C(C=C(C=C4)O)Cl)CCC)C(C)C)C(=O)N(C3=O)C5=CC(=CC(=C5)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/C4=C(C=C(C=C4)O)Cl)/CCC)C(C)C)C(=O)N(C3=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)O

InChI

InChI=1S/C34H35BClF6NO5/c1-4-5-18(10-19-7-8-23(44)14-27(19)36)6-9-28-29-24(17(2)3)15-25-30(26(29)16-35(47)48-28)32(46)43(31(25)45)22-12-20(33(37,38)39)11-21(13-22)34(40,41)42/h7-8,10-14,17,25-26,28,30,44,47H,4-6,9,15-16H2,1-3H3/b18-10+/t25-,26+,28-,30-/m1/s1