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

Systemtic Name: 7-methylsulfonyl-9-oxidanylidene-5-propoxy-xanthene-2-carboxylic acid Openeye Name: 7-methylsulfonyl-9-oxo-5-propoxy-xanthene-2-carboxylic acid CAS Name: 7-methylsulfonyl-9-oxo-5-propoxy-2-xanthenecarboxylic acid IUPAC Name: 7-methylsulfonyl-9-oxo-5-propoxyxanthene-2-carboxylic acid Traditional Name: 9-keto-7-mesyl-5-propoxy-xanthene-2-carboxylic acid Formula: C18H16O7S MolecularWeight: 376.38044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O7S/c1-3-6-24-15-9-11(26(2,22)23)8-13-16(19)12-7-10(18(20)21)4-5-14(12)25-17(13)15/h4-5,7-9H,3,6H2,1-2H3,(H,20,21)