7-bromanyl-9-chloranyl-2-[(1S)-3,3-dimethyl-1-oxidanyl-butyl]-1-methoxy-8-methyl-6-oxidanyl-10H-benzo[b][1,5]benzodioxocin-12-one

Systemtic Name: 7-bromanyl-9-chloranyl-2-[(1S)-3,3-dimethyl-1-oxidanyl-butyl]-1-methoxy-8-methyl-6-oxidanyl-10H-benzo[b][1,5]benzodioxocin-12-one Openeye Name: 7-bromo-9-chloro-6-hydroxy-2-[(1S)-1-hydroxy-3,3-dimethyl-butyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one CAS Name: 7-bromo-9-chloro-6-hydroxy-2-[(1S)-1-hydroxy-3,3-dimethylbutyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one IUPAC Name: 7-bromo-9-chloro-6-hydroxy-2-[(1S)-1-hydroxy-3,3-dimethylbutyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one Traditional Name: 7-bromo-9-chloro-6-hydroxy-2-[(1S)-1-hydroxy-3,3-dimethyl-butyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one Formula: C22H24BrClO6 MolecularWeight: 499.77936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1Br)O)OC3=C(C(=C(C=C3)C(CC(C)(C)C)O)OC)C(=O)OC2)Cl

Isomeric SMILES

CC1=C(C2=C(C(=C1Br)O)OC3=C(C(=C(C=C3)[C@H](CC(C)(C)C)O)OC)C(=O)OC2)Cl

InChI

InChI=1S/C22H24BrClO6/c1-10-16(23)18(26)20-12(17(10)24)9-29-21(27)15-14(30-20)7-6-11(19(15)28-5)13(25)8-22(2,3)4/h6-7,13,25-26H,8-9H2,1-5H3/t13-/m0/s1