7-bromanyl-1-methoxy-8-methyl-2-[(1S)-3-methyl-1-oxidanyl-butyl]-6-oxidanyl-12-oxidanylidene-10H-benzo[b][1,5]benzodioxocine-9-carbonitrile

Systemtic Name: 7-bromanyl-1-methoxy-8-methyl-2-[(1S)-3-methyl-1-oxidanyl-butyl]-6-oxidanyl-12-oxidanylidene-10H-benzo[b][1,5]benzodioxocine-9-carbonitrile Openeye Name: 7-bromo-6-hydroxy-2-[(1S)-1-hydroxy-3-methyl-butyl]-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocine-9-carbonitrile CAS Name: 7-bromo-6-hydroxy-2-[(1S)-1-hydroxy-3-methylbutyl]-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-9-carbonitrile IUPAC Name: 7-bromo-6-hydroxy-2-[(1S)-1-hydroxy-3-methylbutyl]-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocine-9-carbonitrile Traditional Name: 7-bromo-6-hydroxy-2-[(1S)-1-hydroxy-3-methyl-butyl]-12-keto-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-9-carbonitrile Formula: C22H22BrNO6 MolecularWeight: 476.31718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1C#N)COC(=O)C3=C(O2)C=CC(=C3OC)C(CC(C)C)O)O)Br

Isomeric SMILES

CC1=C(C(=C2C(=C1C#N)COC(=O)C3=C(O2)C=CC(=C3OC)[C@H](CC(C)C)O)O)Br

InChI

InChI=1S/C22H22BrNO6/c1-10(2)7-15(25)12-5-6-16-17(20(12)28-4)22(27)29-9-14-13(8-24)11(3)18(23)19(26)21(14)30-16/h5-6,10,15,25-26H,7,9H2,1-4H3/t15-/m0/s1