phenyl 5-ethanoyl-4,6-bis(oxidanyl)-1-benzofuran-7-sulfonate

Systemtic Name: phenyl 5-ethanoyl-4,6-bis(oxidanyl)-1-benzofuran-7-sulfonate Openeye Name: phenyl 5-acetyl-4,6-dihydroxy-benzofuran-7-sulfonate CAS Name: 5-acetyl-4,6-dihydroxy-7-benzofuransulfonic acid phenyl ester IUPAC Name: phenyl 5-acetyl-4,6-dihydroxy-1-benzofuran-7-sulfonate Traditional Name: 5-acetyl-4,6-dihydroxy-benzofuran-7-sulfonic acid phenyl ester Formula: C16H12O7S MolecularWeight: 348.32728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(C(=C1O)S(=O)(=O)OC3=CC=CC=C3)OC=C2)O

Isomeric SMILES

CC(=O)C1=C(C2=C(C(=C1O)S(=O)(=O)OC3=CC=CC=C3)OC=C2)O

InChI

InChI=1S/C16H12O7S/c1-9(17)12-13(18)11-7-8-22-15(11)16(14(12)19)24(20,21)23-10-5-3-2-4-6-10/h2-8,18-19H,1H3