[1-methoxy-8-methyl-2-(3-methylbutanoyl)-12-oxidanylidene-10H-benzo[b][1,5]benzodioxocin-6-yl] chloranylmethanesulfonate

Systemtic Name: [1-methoxy-8-methyl-2-(3-methylbutanoyl)-12-oxidanylidene-10H-benzo[b][1,5]benzodioxocin-6-yl] chloranylmethanesulfonate Openeye Name: [1-methoxy-8-methyl-2-(3-methylbutanoyl)-12-oxo-10H-benzo[b][1,5]benzodioxocin-6-yl] chloromethanesulfonate CAS Name: chloromethanesulfonic acid [1-methoxy-8-methyl-2-(3-methyl-1-oxobutyl)-12-oxo-10H-benzo[b][1,5]benzodioxocin-6-yl] ester IUPAC Name: [1-methoxy-8-methyl-2-(3-methylbutanoyl)-12-oxo-10H-benzo[b][1,5]benzodioxocin-6-yl] chloromethanesulfonate Traditional Name: chloromethanesulfonic acid (2-isovaleryl-12-keto-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-6-yl) ester Formula: C22H23ClO8S MolecularWeight: 482.93122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)COC(=O)C3=C(O2)C=CC(=C3OC)C(=O)CC(C)C)OS(=O)(=O)CCl

Isomeric SMILES

CC1=CC(=C2C(=C1)COC(=O)C3=C(O2)C=CC(=C3OC)C(=O)CC(C)C)OS(=O)(=O)CCl

InChI

InChI=1S/C22H23ClO8S/c1-12(2)7-16(24)15-5-6-17-19(21(15)28-4)22(25)29-10-14-8-13(3)9-18(20(14)30-17)31-32(26,27)11-23/h5-6,8-9,12H,7,10-11H2,1-4H3