5-methylsulfanyl-7-octoxy-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5-methylsulfanyl-7-octoxy-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-methylsulfanyl-7-octoxy-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-(methylthio)-7-octoxy-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-methylsulfanyl-7-octoxy-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-5-(methylthio)-7-octoxy-xanthene-2-carboxylic acid Formula: C23H26O5S MolecularWeight: 414.51454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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