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

Systemtic Name: ethyl 5-methylsulfanyl-7-octoxy-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: ethyl 5-methylsulfanyl-7-octoxy-9-oxo-xanthene-2-carboxylate CAS Name: 5-(methylthio)-7-octoxy-9-oxo-2-xanthenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methylsulfanyl-7-octoxy-9-oxoxanthene-2-carboxylate Traditional Name: 9-keto-5-(methylthio)-7-octoxy-xanthene-2-carboxylic acid ethyl ester Formula: C25H30O5S MolecularWeight: 442.5677

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)OCC)SC

Isomeric SMILES

CCCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)OCC)SC

InChI

InChI=1S/C25H30O5S/c1-4-6-7-8-9-10-13-29-18-15-20-23(26)19-14-17(25(27)28-5-2)11-12-21(19)30-24(20)22(16-18)31-3/h11-12,14-16H,4-10,13H2,1-3H3