ethyl 5-methylsulfanyl-7-oxidanyl-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: ethyl 5-methylsulfanyl-7-oxidanyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: ethyl 7-hydroxy-5-methylsulfanyl-9-oxo-xanthene-2-carboxylate CAS Name: 7-hydroxy-5-(methylthio)-9-oxo-2-xanthenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-hydroxy-5-methylsulfanyl-9-oxoxanthene-2-carboxylate Traditional Name: 7-hydroxy-9-keto-5-(methylthio)xanthene-2-carboxylic acid ethyl ester Formula: C17H14O5S MolecularWeight: 330.35506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)OC3=C(C=C(C=C3C2=O)O)SC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)OC3=C(C=C(C=C3C2=O)O)SC

InChI

InChI=1S/C17H14O5S/c1-3-21-17(20)9-4-5-13-11(6-9)15(19)12-7-10(18)8-14(23-2)16(12)22-13/h4-8,18H,3H2,1-2H3