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

Systemtic Name: 7-methylsulfinyl-5-octyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-methylsulfinyl-5-octyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-methylsulfinyl-5-octyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-methylsulfinyl-5-octyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-7-methylsulfinyl-5-octyl-xanthene-2-carboxylic acid Formula: C23H26O5S MolecularWeight: 414.51454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26O5S/c1-3-4-5-6-7-8-9-15-12-17(29(2)27)14-19-21(24)18-13-16(23(25)26)10-11-20(18)28-22(15)19/h10-14H,3-9H2,1-2H3,(H,25,26)