(3aS,6S,6aS,10aR,11aS,11bR)-2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(2-chloranyl-4-oxidanyl-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone

Systemtic Name: (3aS,6S,6aS,10aR,11aS,11bR)-2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(2-chloranyl-4-oxidanyl-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone Openeye Name: (3aS,6S,6aS,10aR,11aS,11bR)-2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(2-chloro-4-hydroxy-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone CAS Name: (3aS,6S,6aS,10aR,11aS,11bR)-2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(2-chloro-4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone IUPAC Name: (3aS,6S,6aS,10aR,11aS,11bR)-2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(2-chloro-4-hydroxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone Traditional Name: (3aS,6S,6aS,10aR,11aS,11bR)-2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(2-chloro-4-hydroxy-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C47H33ClN2O6 MolecularWeight: 757.22772

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CC3C(=O)C(=CC(=O)C3(C2C4=C(C=C(C=C4)O)Cl)C5=CC=CC=C5)C6=CC=CC=C6)C7C1C(=O)N(C7=O)C8=CC=C(C=C8)C9=NC1=CC=CC=C1O9

Isomeric SMILES

C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=C(C=C(C=C4)O)Cl)C5=CC=CC=C5)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)C9=NC1=CC=CC=C1O9

InChI

InChI=1S/C47H33ClN2O6/c48-37-23-30(51)19-20-32(37)42-31-21-22-33-41(46(55)50(45(33)54)29-17-15-27(16-18-29)44-49-38-13-7-8-14-39(38)56-44)35(31)24-36-43(53)34(26-9-3-1-4-10-26)25-40(52)47(36,42)28-11-5-2-6-12-28/h1-21,23,25,33,35-36,41-42,51H,22,24H2/t33-,35+,36-,41-,42+,47-/m0/s1