[2-[[3,4-bis(methoxysulfonyloxy)phenyl]methyl]-4-oxidanyl-3-oxidanylidene-1-benzofuran-6-yl] methyl sulfate

Systemtic Name: [2-[[3,4-bis(methoxysulfonyloxy)phenyl]methyl]-4-oxidanyl-3-oxidanylidene-1-benzofuran-6-yl] methyl sulfate Openeye Name: [2-[[3,4-bis(methoxysulfonyloxy)phenyl]methyl]-4-hydroxy-3-oxo-benzofuran-6-yl] methyl sulfate CAS Name: sulfuric acid [2-[[3,4-bis(methoxysulfonyloxy)phenyl]methyl]-4-hydroxy-3-oxo-6-benzofuranyl] methyl ester IUPAC Name: [2-[[3,4-bis(methoxysulfonyloxy)phenyl]methyl]-4-hydroxy-3-oxo-1-benzofuran-6-yl] methyl sulfate Traditional Name: sulfuric acid [2-[3,4-bis(methoxysulfonyloxy)benzyl]-4-hydroxy-3-keto-coumaran-6-yl] methyl ester Formula: C18H18O15S3 MolecularWeight: 570.52152

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)OC1=C(C=C(C=C1)CC2C(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)OC)O)OS(=O)(=O)OC

Isomeric SMILES

COS(=O)(=O)OC1=C(C=C(C=C1)CC2C(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)OC)O)OS(=O)(=O)OC

InChI

InChI=1S/C18H18O15S3/c1-27-34(21,22)31-11-8-12(19)17-15(9-11)30-16(18(17)20)7-10-4-5-13(32-35(23,24)28-2)14(6-10)33-36(25,26)29-3/h4-6,8-9,16,19H,7H2,1-3H3