6-(2-methylpropylsulfonyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 6-(2-methylpropylsulfonyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 6-isobutylsulfonyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 6-(2-methylpropylsulfonyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 6-(2-methylpropylsulfonyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 6-isobutylsulfonyl-9-keto-xanthene-2-carboxylic acid Formula: C18H16O6S MolecularWeight: 360.38104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)C1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)CS(=O)(=O)C1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C18H16O6S/c1-10(2)9-25(22,23)12-4-5-13-16(8-12)24-15-6-3-11(18(20)21)7-14(15)17(13)19/h3-8,10H,9H2,1-2H3,(H,20,21)