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

Systemtic Name: pentyl 7-methylsulfanyl-5-oxidanyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: pentyl 5-hydroxy-7-methylsulfanyl-9-oxo-xanthene-2-carboxylate CAS Name: 5-hydroxy-7-(methylthio)-9-oxo-2-xanthenecarboxylic acid pentyl ester IUPAC Name: pentyl 5-hydroxy-7-methylsulfanyl-9-oxoxanthene-2-carboxylate Traditional Name: 5-hydroxy-9-keto-7-(methylthio)xanthene-2-carboxylic acid amyl ester Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20O5S/c1-3-4-5-8-24-20(23)12-6-7-17-14(9-12)18(22)15-10-13(26-2)11-16(21)19(15)25-17/h6-7,9-11,21H,3-5,8H2,1-2H3