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

Systemtic Name: methyl 5-hexyl-7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: methyl 5-hexyl-7-methylsulfanyl-9-oxo-xanthene-2-carboxylate CAS Name: 5-hexyl-7-(methylthio)-9-oxo-2-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 5-hexyl-7-methylsulfanyl-9-oxoxanthene-2-carboxylate Traditional Name: 5-hexyl-9-keto-7-(methylthio)xanthene-2-carboxylic acid methyl ester Formula: C22H24O4S MolecularWeight: 384.48856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC

Isomeric SMILES

CCCCCCC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H24O4S/c1-4-5-6-7-8-14-11-16(27-3)13-18-20(23)17-12-15(22(24)25-2)9-10-19(17)26-21(14)18/h9-13H,4-8H2,1-3H3