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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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