7-methyl-9-oxidanylidene-5-propoxy-1-sulfamoyl-xanthene-2-carboxylic acid

Systemtic Name: 7-methyl-9-oxidanylidene-5-propoxy-1-sulfamoyl-xanthene-2-carboxylic acid Openeye Name: 7-methyl-9-oxo-5-propoxy-1-sulfamoyl-xanthene-2-carboxylic acid CAS Name: 7-methyl-9-oxo-5-propoxy-1-sulfamoyl-2-xanthenecarboxylic acid IUPAC Name: 7-methyl-9-oxo-5-propoxy-1-sulfamoylxanthene-2-carboxylic acid Traditional Name: 9-keto-7-methyl-5-propoxy-1-sulfamoyl-xanthene-2-carboxylic acid Formula: C18H17NO7S MolecularWeight: 391.39508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2C(=CC(=C1)C)C(=O)C3=C(O2)C=CC(=C3S(=O)(=O)N)C(=O)O

Isomeric SMILES

CCCOC1=C2C(=CC(=C1)C)C(=O)C3=C(O2)C=CC(=C3S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C18H17NO7S/c1-3-6-25-13-8-9(2)7-11-15(20)14-12(26-16(11)13)5-4-10(18(21)22)17(14)27(19,23)24/h4-5,7-8H,3,6H2,1-2H3,(H,21,22)(H2,19,23,24)