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

Systemtic Name: 1,6-dimethoxy-8-methyl-2-(3-methyl-1-oxidanyl-butyl)-5-oxidanylidene-10H-benzo[b][5,1]benzoxathiocin-12-one Openeye Name: 2-(1-hydroxy-3-methyl-butyl)-1,6-dimethoxy-8-methyl-5-oxo-10H-benzo[b][5,1]benzoxathiocin-12-one CAS Name: 2-(1-hydroxy-3-methylbutyl)-1,6-dimethoxy-8-methyl-5-oxo-10H-benzo[b][5,1]benzoxathiocin-12-one IUPAC Name: 2-(1-hydroxy-3-methylbutyl)-1,6-dimethoxy-8-methyl-5-oxo-10H-benzo[b][5,1]benzoxathiocin-12-one Traditional Name: 2-(1-hydroxy-3-methyl-butyl)-5-keto-1,6-dimethoxy-8-methyl-10H-benzo[b][5,1]benzoxathiocin-12-one Formula: C22H26O6S MolecularWeight: 418.50324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)COC(=O)C3=C(S2=O)C=CC(=C3OC)C(CC(C)C)O)OC

Isomeric SMILES

CC1=CC(=C2C(=C1)COC(=O)C3=C(S2=O)C=CC(=C3OC)C(CC(C)C)O)OC

InChI

InChI=1S/C22H26O6S/c1-12(2)8-16(23)15-6-7-18-19(20(15)27-5)22(24)28-11-14-9-13(3)10-17(26-4)21(14)29(18)25/h6-7,9-10,12,16,23H,8,11H2,1-5H3