(1-oxidanylidene-1-phenyl-propan-2-yl) 1,3-bis(oxidanylidene)-2-benzofuran-5-sulfonate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 1,3-bis(oxidanylidene)-2-benzofuran-5-sulfonate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 1,3-dioxoisobenzofuran-5-sulfonate CAS Name: 1,3-dioxo-5-isobenzofuransulfonic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 1,3-dioxo-2-benzofuran-5-sulfonate Traditional Name: 1,3-diketophthalan-5-sulfonic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C17H12O7S MolecularWeight: 360.33798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OS(=O)(=O)C2=CC3=C(C=C2)C(=O)OC3=O

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)OS(=O)(=O)C2=CC3=C(C=C2)C(=O)OC3=O

InChI

InChI=1S/C17H12O7S/c1-10(15(18)11-5-3-2-4-6-11)24-25(21,22)12-7-8-13-14(9-12)17(20)23-16(13)19/h2-10H,1H3