4-methyl-2-oxidanyl-5-thiomorpholin-4-ylsulfonyl-benzoate

Systemtic Name: 4-methyl-2-oxidanyl-5-thiomorpholin-4-ylsulfonyl-benzoate Openeye Name: 2-hydroxy-4-methyl-5-thiomorpholinosulfonyl-benzoate CAS Name: 2-hydroxy-4-methyl-5-thiomorpholin-4-ylsulfonylbenzoate IUPAC Name: 2-hydroxy-4-methyl-5-thiomorpholin-4-ylsulfonylbenzoate Traditional Name: 2-hydroxy-4-methyl-5-thiomorpholinosulfonyl-benzoate Formula: C12H14NO5S2- MolecularWeight: 316.37326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(=O)[O-])S(=O)(=O)N2CCSCC2

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(=O)[O-])S(=O)(=O)N2CCSCC2

InChI

InChI=1S/C12H15NO5S2/c1-8-6-10(14)9(12(15)16)7-11(8)20(17,18)13-2-4-19-5-3-13/h6-7,14H,2-5H2,1H3,(H,15,16)/p-1