5-ethyl-7-ethylsulfonyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5-ethyl-7-ethylsulfonyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-ethyl-7-ethylsulfonyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-ethyl-7-ethylsulfonyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-ethyl-7-ethylsulfonyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 7-esyl-5-ethyl-9-keto-xanthene-2-carboxylic acid Formula: C18H16O6S MolecularWeight: 360.38104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)S(=O)(=O)CC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCC1=C2C(=CC(=C1)S(=O)(=O)CC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C18H16O6S/c1-3-10-7-12(25(22,23)4-2)9-14-16(19)13-8-11(18(20)21)5-6-15(13)24-17(10)14/h5-9H,3-4H2,1-2H3,(H,20,21)