5-morpholin-4-yl-2-sulfo-benzene-1,3-dicarboxylic acid

Systemtic Name: 5-morpholin-4-yl-2-sulfo-benzene-1,3-dicarboxylic acid Openeye Name: 5-morpholino-2-sulfo-benzene-1,3-dicarboxylic acid CAS Name: 5-(4-morpholinyl)-2-sulfobenzene-1,3-dicarboxylic acid IUPAC Name: 5-morpholin-4-yl-2-sulfobenzene-1,3-dicarboxylic acid Traditional Name: 5-morpholino-2-sulfo-isophthalic acid Formula: C12H13NO8S MolecularWeight: 331.29852

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=C(C(=C2)C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1C2=CC(=C(C(=C2)C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO8S/c14-11(15)8-5-7(13-1-3-21-4-2-13)6-9(12(16)17)10(8)22(18,19)20/h5-6H,1-4H2,(H,14,15)(H,16,17)(H,18,19,20)