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

Systemtic Name: methyl 5-methylsulfanyl-7-octoxy-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: methyl 5-methylsulfanyl-7-octoxy-9-oxo-xanthene-2-carboxylate CAS Name: 5-(methylthio)-7-octoxy-9-oxo-2-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 5-methylsulfanyl-7-octoxy-9-oxoxanthene-2-carboxylate Traditional Name: 9-keto-5-(methylthio)-7-octoxy-xanthene-2-carboxylic acid methyl ester Formula: C24H28O5S MolecularWeight: 428.54112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28O5S/c1-4-5-6-7-8-9-12-28-17-14-19-22(25)18-13-16(24(26)27-2)10-11-20(18)29-23(19)21(15-17)30-3/h10-11,13-15H,4-9,12H2,1-3H3