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

Systemtic Name: 5-methylsulfanyl-7-octyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-methylsulfanyl-7-octyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-(methylthio)-7-octyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-methylsulfanyl-7-octyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-5-(methylthio)-7-octyl-xanthene-2-carboxylic acid Formula: C23H26O4S MolecularWeight: 398.51514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SC

Isomeric SMILES

CCCCCCCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)SC

InChI

InChI=1S/C23H26O4S/c1-3-4-5-6-7-8-9-15-12-18-21(24)17-14-16(23(25)26)10-11-19(17)27-22(18)20(13-15)28-2/h10-14H,3-9H2,1-2H3,(H,25,26)