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

Systemtic Name: 5-octoxy-9-oxidanylidene-7-propylsulfonyl-xanthene-2-carboxylic acid Openeye Name: 5-octoxy-9-oxo-7-propylsulfonyl-xanthene-2-carboxylic acid CAS Name: 5-octoxy-9-oxo-7-propylsulfonyl-2-xanthenecarboxylic acid IUPAC Name: 5-octoxy-9-oxo-7-propylsulfonylxanthene-2-carboxylic acid Traditional Name: 9-keto-5-octoxy-7-propylsulfonyl-xanthene-2-carboxylic acid Formula: C25H30O7S MolecularWeight: 474.5665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C2C(=CC(=C1)S(=O)(=O)CCC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=C2C(=CC(=C1)S(=O)(=O)CCC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C25H30O7S/c1-3-5-6-7-8-9-12-31-22-16-18(33(29,30)13-4-2)15-20-23(26)19-14-17(25(27)28)10-11-21(19)32-24(20)22/h10-11,14-16H,3-9,12-13H2,1-2H3,(H,27,28)