6-butan-2-ylsulfonyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 6-butan-2-ylsulfonyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 9-oxo-6-sec-butylsulfonyl-xanthene-2-carboxylic acid CAS Name: 6-butan-2-ylsulfonyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 6-butan-2-ylsulfonyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-6-sec-butylsulfonyl-xanthene-2-carboxylic acid Formula: C18H16O6S MolecularWeight: 360.38104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)S(=O)(=O)C1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCC(C)S(=O)(=O)C1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C18H16O6S/c1-3-10(2)25(22,23)12-5-6-13-16(9-12)24-15-7-4-11(18(20)21)8-14(15)17(13)19/h4-10H,3H2,1-2H3,(H,20,21)