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1-ethyl-6-methylsulfonyl-9-oxidanylidene-xanthene-2-carboxylic acid

1-ethyl-6-methylsulfonyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name:1-ethyl-6-methylsulfonyl-9-oxidanylidene-xanthene-2-carboxylic acid
Openeye Name:1-ethyl-6-methylsulfonyl-9-oxo-xanthene-2-carboxylic acid
CAS Name:1-ethyl-6-methylsulfonyl-9-oxo-2-xanthenecarboxylic acid
IUPAC Name:1-ethyl-6-methylsulfonyl-9-oxoxanthene-2-carboxylic acid
Traditional Name:1-ethyl-9-keto-6-mesyl-xanthene-2-carboxylic acid
Formula: C17H14O6S
MolecularWeight: 346.35446
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1C(=O)C3=C(O2)C=C(C=C3)S(=O)(=O)C)C(=O)O


Isomeric SMILES

CCC1=C(C=CC2=C1C(=O)C3=C(O2)C=C(C=C3)S(=O)(=O)C)C(=O)O


InChI

InChI=1S/C17H14O6S/c1-3-10-11(17(19)20)6-7-13-15(10)16(18)12-5-4-9(24(2,21)22)8-14(12)23-13/h4-8H,3H2,1-2H3,(H,19,20)


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