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

Systemtic Name: 5-ethylsulfonyl-9-oxidanylidene-7-propyl-xanthene-2-carboxylic acid Openeye Name: 5-ethylsulfonyl-9-oxo-7-propyl-xanthene-2-carboxylic acid CAS Name: 5-ethylsulfonyl-9-oxo-7-propyl-2-xanthenecarboxylic acid IUPAC Name: 5-ethylsulfonyl-9-oxo-7-propylxanthene-2-carboxylic acid Traditional Name: 5-esyl-9-keto-7-propyl-xanthene-2-carboxylic acid Formula: C19H18O6S MolecularWeight: 374.40762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)CC

Isomeric SMILES

CCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)S(=O)(=O)CC

InChI

InChI=1S/C19H18O6S/c1-3-5-11-8-14-17(20)13-10-12(19(21)22)6-7-15(13)25-18(14)16(9-11)26(23,24)4-2/h6-10H,3-5H2,1-2H3,(H,21,22)