5-ethylsulfinyl-9-oxidanylidene-7-propoxy-xanthene-2-carboxylic acid

Systemtic Name: 5-ethylsulfinyl-9-oxidanylidene-7-propoxy-xanthene-2-carboxylic acid Openeye Name: 5-ethylsulfinyl-9-oxo-7-propoxy-xanthene-2-carboxylic acid CAS Name: 5-ethylsulfinyl-9-oxo-7-propoxy-2-xanthenecarboxylic acid IUPAC Name: 5-ethylsulfinyl-9-oxo-7-propoxyxanthene-2-carboxylic acid Traditional Name: 5-ethylsulfinyl-9-keto-7-propoxy-xanthene-2-carboxylic acid Formula: C19H18O6S MolecularWeight: 374.40762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)CC

Isomeric SMILES

CCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)CC

InChI

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