9-bromanyl-1,6-dimethoxy-8-methyl-2-(3-methyl-1-oxidanyl-butyl)-5-oxidanylidene-10H-benzo[b][5,1]benzoxathiocin-12-one

Systemtic Name: 9-bromanyl-1,6-dimethoxy-8-methyl-2-(3-methyl-1-oxidanyl-butyl)-5-oxidanylidene-10H-benzo[b][5,1]benzoxathiocin-12-one Openeye Name: 9-bromo-2-(1-hydroxy-3-methyl-butyl)-1,6-dimethoxy-8-methyl-5-oxo-10H-benzo[b][5,1]benzoxathiocin-12-one CAS Name: 9-bromo-2-(1-hydroxy-3-methylbutyl)-1,6-dimethoxy-8-methyl-5-oxo-10H-benzo[b][5,1]benzoxathiocin-12-one IUPAC Name: 9-bromo-2-(1-hydroxy-3-methylbutyl)-1,6-dimethoxy-8-methyl-5-oxo-10H-benzo[b][5,1]benzoxathiocin-12-one Traditional Name: 9-bromo-2-(1-hydroxy-3-methyl-butyl)-5-keto-1,6-dimethoxy-8-methyl-10H-benzo[b][5,1]benzoxathiocin-12-one Formula: C22H25BrO6S MolecularWeight: 497.3993

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1Br)COC(=O)C3=C(S2=O)C=CC(=C3OC)C(CC(C)C)O)OC

Isomeric SMILES

CC1=CC(=C2C(=C1Br)COC(=O)C3=C(S2=O)C=CC(=C3OC)C(CC(C)C)O)OC

InChI

InChI=1S/C22H25BrO6S/c1-11(2)8-15(24)13-6-7-17-18(20(13)28-5)22(25)29-10-14-19(23)12(3)9-16(27-4)21(14)30(17)26/h6-7,9,11,15,24H,8,10H2,1-5H3