[1-methoxy-8-methyl-2-[(1S)-3-methyl-1-oxidanyl-butyl]-12-oxidanylidene-10H-benzo[b][1,5]benzodioxocin-6-yl] propane-2-sulfonate

Systemtic Name: [1-methoxy-8-methyl-2-[(1S)-3-methyl-1-oxidanyl-butyl]-12-oxidanylidene-10H-benzo[b][1,5]benzodioxocin-6-yl] propane-2-sulfonate Openeye Name: [2-[(1S)-1-hydroxy-3-methyl-butyl]-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-6-yl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-[(1S)-1-hydroxy-3-methylbutyl]-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-6-yl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [2-[(1S)-1-hydroxy-3-methyl-butyl]-12-keto-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-6-yl] ester Formula: C24H30O8S MolecularWeight: 478.5552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C2C(=C1)COC(=O)C3=C(O2)C=CC(=C3OC)[C@H](CC(C)C)O)OS(=O)(=O)C(C)C

InChI

InChI=1S/C24H30O8S/c1-13(2)9-18(25)17-7-8-19-21(23(17)29-6)24(26)30-12-16-10-15(5)11-20(22(16)31-19)32-33(27,28)14(3)4/h7-8,10-11,13-14,18,25H,9,12H2,1-6H3/t18-/m0/s1