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

Systemtic Name: 7-methylsulfanyl-5-octoxy-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: 7-methylsulfanyl-5-octoxy-9-oxo-xanthene-2-carboxylate CAS Name: 7-(methylthio)-5-octoxy-9-oxo-2-xanthenecarboxylate IUPAC Name: 7-methylsulfanyl-5-octoxy-9-oxoxanthene-2-carboxylate Traditional Name: 9-keto-7-(methylthio)-5-octoxy-xanthene-2-carboxylate Formula: C23H25O5S- MolecularWeight: 413.5066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C23H26O5S/c1-3-4-5-6-7-8-11-27-20-14-16(29-2)13-18-21(24)17-12-15(23(25)26)9-10-19(17)28-22(18)20/h9-10,12-14H,3-8,11H2,1-2H3,(H,25,26)/p-1