methyl 5-hexoxy-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: methyl 5-hexoxy-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: methyl 5-hexoxy-7-methylsulfanyl-9-oxo-xanthene-2-carboxylate CAS Name: 5-hexoxy-7-(methylthio)-9-oxo-2-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 5-hexoxy-7-methylsulfanyl-9-oxoxanthene-2-carboxylate Traditional Name: 5-hexoxy-9-keto-7-(methylthio)xanthene-2-carboxylic acid methyl ester Formula: C22H24O5S MolecularWeight: 400.48796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC

Isomeric SMILES

CCCCCCOC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H24O5S/c1-4-5-6-7-10-26-19-13-15(28-3)12-17-20(23)16-11-14(22(24)25-2)8-9-18(16)27-21(17)19/h8-9,11-13H,4-7,10H2,1-3H3