7-heptoxy-5-methylsulfonyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 7-heptoxy-5-methylsulfonyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-heptoxy-5-methylsulfonyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-heptoxy-5-methylsulfonyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-heptoxy-5-methylsulfonyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 7-heptoxy-9-keto-5-mesyl-xanthene-2-carboxylic acid Formula: C22H24O7S MolecularWeight: 432.48676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C22H24O7S/c1-3-4-5-6-7-10-28-15-12-17-20(23)16-11-14(22(24)25)8-9-18(16)29-21(17)19(13-15)30(2,26)27/h8-9,11-13H,3-7,10H2,1-2H3,(H,24,25)