[3-[(3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloranyl-4-oxidanyl-phenyl)-1,3,7,10-tetrakis(oxidanylidene)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]phenyl]boronic acid

Systemtic Name: [3-[(3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloranyl-4-oxidanyl-phenyl)-1,3,7,10-tetrakis(oxidanylidene)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]phenyl]boronic acid Openeye Name: [3-[(3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloro-4-hydroxy-phenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]phenyl]boronic acid CAS Name: [3-[(3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloro-4-hydroxyphenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]phenyl]boronic acid IUPAC Name: [3-[(3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloro-4-hydroxyphenyl)-1,3,7,10-tetraoxo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[2,3-e]isoindol-2-yl]phenyl]boronic acid Traditional Name: [3-[(3aS,6S,6aS,10aR,11aS,11bR)-6-(2-chloro-4-hydroxy-phenyl)-1,3,7,10-tetraketo-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[2,3-e]isoindol-2-yl]phenyl]boronic acid Formula: C40H31BClNO7 MolecularWeight: 683.94064

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC=C1)N2C(=O)C3CC=C4C(C3C2=O)CC5C(=O)C(=CC(=O)C5(C4C6=C(C=C(C=C6)O)Cl)C7=CC=CC=C7)C8=CC=CC=C8)(O)O

Isomeric SMILES

B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=C(C=C(C=C6)O)Cl)C7=CC=CC=C7)C8=CC=CC=C8)(O)O

InChI

InChI=1S/C40H31BClNO7/c42-33-19-26(44)14-15-28(33)36-27-16-17-29-35(39(48)43(38(29)47)25-13-7-12-24(18-25)41(49)50)31(27)20-32-37(46)30(22-8-3-1-4-9-22)21-34(45)40(32,36)23-10-5-2-6-11-23/h1-16,18-19,21,29,31-32,35-36,44,49-50H,17,20H2/t29-,31+,32-,35-,36+,40-/m0/s1