6-[(4R,6aR,9aS,9bR)-4-[(3E)-3-[(2-chloranyl-4-oxidanyl-phenyl)methylidene]hexyl]-5-ethyl-2-oxidanyl-7,9-bis(oxidanylidene)-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindol-8-yl]hexanoic acid

Systemtic Name: 6-[(4R,6aR,9aS,9bR)-4-[(3E)-3-[(2-chloranyl-4-oxidanyl-phenyl)methylidene]hexyl]-5-ethyl-2-oxidanyl-7,9-bis(oxidanylidene)-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindol-8-yl]hexanoic acid Openeye Name: 6-[(4R,6aR,9aS,9bR)-4-[(3E)-3-[(2-chloro-4-hydroxy-phenyl)methylene]hexyl]-5-ethyl-2-hydroxy-7,9-dioxo-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindol-8-yl]hexanoic acid CAS Name: 6-[(4R,6aR,9aS,9bR)-4-[(3E)-3-[(2-chloro-4-hydroxyphenyl)methylidene]hexyl]-5-ethyl-2-hydroxy-7,9-dioxo-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindol-8-yl]hexanoic acid IUPAC Name: 6-[(4R,6aR,9aS,9bR)-4-[(3E)-3-[(2-chloro-4-hydroxyphenyl)methylidene]hexyl]-5-ethyl-2-hydroxy-7,9-dioxo-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindol-8-yl]hexanoic acid Traditional Name: 6-[(4R,6aR,9aS,9bR)-4-[(E)-4-(2-chloro-4-hydroxy-phenyl)-3-propyl-but-3-enyl]-5-ethyl-2-hydroxy-7,9-diketo-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindol-8-yl]hexanoic acid Formula: C31H41BClNO7 MolecularWeight: 585.92374

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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)CC)C(=O)N(C3=O)CCCCCC(=O)O)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)CC)C(=O)N(C3=O)CCCCCC(=O)O)O

InChI

InChI=1S/C31H41BClNO7/c1-3-8-19(15-21-11-12-22(35)17-25(21)33)10-13-26-28-20(4-2)16-23-29(24(28)18-32(40)41-26)31(39)34(30(23)38)14-7-5-6-9-27(36)37/h11-12,15,17,23-24,26,29,35,40H,3-10,13-14,16,18H2,1-2H3,(H,36,37)/b19-15+/t23-,24+,26-,29-/m1/s1