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

Systemtic Name: 1-methoxy-8-methyl-2-(3-methyl-1-oxidanyl-butyl)-5,5-bis(oxidanylidene)-10H-benzo[b][5,1]benzoxathiocin-12-one Openeye Name: 2-(1-hydroxy-3-methyl-butyl)-1-methoxy-8-methyl-5,5-dioxo-10H-benzo[b][5,1]benzoxathiocin-12-one CAS Name: 2-(1-hydroxy-3-methylbutyl)-1-methoxy-8-methyl-5,5-dioxo-10H-benzo[b][5,1]benzoxathiocin-12-one IUPAC Name: 2-(1-hydroxy-3-methylbutyl)-1-methoxy-8-methyl-5,5-dioxo-10H-benzo[b][5,1]benzoxathiocin-12-one Traditional Name: 2-(1-hydroxy-3-methyl-butyl)-5,5-diketo-1-methoxy-8-methyl-10H-benzo[b][5,1]benzoxathiocin-12-one Formula: C21H24O6S MolecularWeight: 404.47666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)S(=O)(=O)C3=C(C(=C(C=C3)C(CC(C)C)O)OC)C(=O)OC2

Isomeric SMILES

CC1=CC2=C(C=C1)S(=O)(=O)C3=C(C(=C(C=C3)C(CC(C)C)O)OC)C(=O)OC2

InChI

InChI=1S/C21H24O6S/c1-12(2)9-16(22)15-6-8-18-19(20(15)26-4)21(23)27-11-14-10-13(3)5-7-17(14)28(18,24)25/h5-8,10,12,16,22H,9,11H2,1-4H3