5-(3-methylbutoxymethylsulfinyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5-(3-methylbutoxymethylsulfinyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-(isopentyloxymethylsulfinyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-(3-methylbutoxymethylsulfinyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-(3-methylbutoxymethylsulfinyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-(isoamoxymethylsulfinyl)-9-keto-xanthene-2-carboxylic acid Formula: C20H20O6S MolecularWeight: 388.4342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOCS(=O)C1=CC=CC2=C1OC3=C(C2=O)C=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)CCOCS(=O)C1=CC=CC2=C1OC3=C(C2=O)C=C(C=C3)C(=O)O

InChI

InChI=1S/C20H20O6S/c1-12(2)8-9-25-11-27(24)17-5-3-4-14-18(21)15-10-13(20(22)23)6-7-16(15)26-19(14)17/h3-7,10,12H,8-9,11H2,1-2H3,(H,22,23)