[3-oxidanylidene-2-(2-oxidanylpropan-2-yl)-1-benzofuran-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [3-oxidanylidene-2-(2-oxidanylpropan-2-yl)-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [2-(1-hydroxy-1-methyl-ethyl)-3-oxo-benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2-hydroxypropan-2-yl)-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-(2-hydroxypropan-2-yl)-3-oxo-1-benzofuran-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(1-hydroxy-1-methyl-ethyl)-3-keto-coumaran-6-yl] ester Formula: C18H18O6S MolecularWeight: 362.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(O3)C(C)(C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(O3)C(C)(C)O

InChI

InChI=1S/C18H18O6S/c1-11-4-7-13(8-5-11)25(21,22)24-12-6-9-14-15(10-12)23-17(16(14)19)18(2,3)20/h4-10,17,20H,1-3H3