(6S,6aS,9aS)-3'-[3,5-bis(bromanyl)phenyl]-6,9a-dimethyl-6a-oxidanyl-spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-1,2-oxazole]-2,9-dione

Systemtic Name: (6S,6aS,9aS)-3'-[3,5-bis(bromanyl)phenyl]-6,9a-dimethyl-6a-oxidanyl-spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-1,2-oxazole]-2,9-dione Openeye Name: (6S,6aS,9aS)-3'-(3,5-dibromophenyl)-6a-hydroxy-6,9a-dimethyl-spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-isoxazole]-2,9-dione CAS Name: (6S,6aS,9aS)-3'-(3,5-dibromophenyl)-6a-hydroxy-6,9a-dimethylspiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-isoxazole]-2,9-dione IUPAC Name: (6S,6aS,9aS)-3'-(3,5-dibromophenyl)-6a-hydroxy-6,9a-dimethylspiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-1,2-oxazole]-2,9-dione Traditional Name: (6'S,6'aS,9'aS)-3-(3,5-dibromophenyl)-6'a-hydroxy-6',9'a-dimethyl-spiro[2-isoxazoline-5,3'-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan]-2',9'-quinone Formula: C22H21Br2NO5 MolecularWeight: 539.21384

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C3(C1(C=CC3=O)O)C)OC(=O)C24CC(=NO4)C5=CC(=CC(=C5)Br)Br

Isomeric SMILES

C[C@H]1CCC2C([C@]3([C@]1(C=CC3=O)O)C)OC(=O)C24CC(=NO4)C5=CC(=CC(=C5)Br)Br

InChI

InChI=1S/C22H21Br2NO5/c1-11-3-4-15-18(20(2)17(26)5-6-22(11,20)28)29-19(27)21(15)10-16(25-30-21)12-7-13(23)9-14(24)8-12/h5-9,11,15,18,28H,3-4,10H2,1-2H3/t11-,15?,18?,20-,21?,22+/m0/s1