5-morpholin-4-ylsulfonylbenzene-1,3-dicarboxylic acid

Systemtic Name: 5-morpholin-4-ylsulfonylbenzene-1,3-dicarboxylic acid Openeye Name: 5-morpholinosulfonylbenzene-1,3-dicarboxylic acid CAS Name: 5-(4-morpholinylsulfonyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-morpholin-4-ylsulfonylbenzene-1,3-dicarboxylic acid Traditional Name: 5-morpholinosulfonylisophthalic acid Formula: C12H13NO7S MolecularWeight: 315.29912

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO7S/c14-11(15)8-5-9(12(16)17)7-10(6-8)21(18,19)13-1-3-20-4-2-13/h5-7H,1-4H2,(H,14,15)(H,16,17)