ethyl 3-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonyloxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(9,10,10-trioxothioxanthene-3-carbonyl)oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[oxo-(9,10,10-trioxo-3-thioxanthenyl)methoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(9,10,10-trioxothioxanthene-3-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[(9,10,10-triketothioxanthene-3-carbonyl)oxymethyl]coumarilic acid ethyl ester Formula: C26H18O8S MolecularWeight: 490.48132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C26H18O8S/c1-2-32-26(29)24-19(16-7-3-5-9-20(16)34-24)14-33-25(28)15-11-12-18-22(13-15)35(30,31)21-10-6-4-8-17(21)23(18)27/h3-13H,2,14H2,1H3