5-ethylsulfonyl-9-oxidanylidene-7-propan-2-yl-xanthene-2-carboxylic acid

Systemtic Name: 5-ethylsulfonyl-9-oxidanylidene-7-propan-2-yl-xanthene-2-carboxylic acid Openeye Name: 5-ethylsulfonyl-7-isopropyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-ethylsulfonyl-9-oxo-7-propan-2-yl-2-xanthenecarboxylic acid IUPAC Name: 5-ethylsulfonyl-9-oxo-7-propan-2-ylxanthene-2-carboxylic acid Traditional Name: 5-esyl-7-isopropyl-9-keto-xanthene-2-carboxylic acid Formula: C19H18O6S MolecularWeight: 374.40762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C2C(=CC(=C1)C(C)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=C2C(=CC(=C1)C(C)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C19H18O6S/c1-4-26(23,24)16-9-12(10(2)3)8-14-17(20)13-7-11(19(21)22)5-6-15(13)25-18(14)16/h5-10H,4H2,1-3H3,(H,21,22)