6-morpholin-4-ylsulfonylquinoline-2,3,4-tricarboxylic acid

Systemtic Name: 6-morpholin-4-ylsulfonylquinoline-2,3,4-tricarboxylic acid Openeye Name: 6-morpholinosulfonylquinoline-2,3,4-tricarboxylic acid CAS Name: 6-(4-morpholinylsulfonyl)quinoline-2,3,4-tricarboxylic acid IUPAC Name: 6-morpholin-4-ylsulfonylquinoline-2,3,4-tricarboxylic acid Traditional Name: 6-morpholinosulfonylquinoline-2,3,4-tricarboxylic acid Formula: C16H14N2O9S MolecularWeight: 410.35536

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C(=C(N=C3C=C2)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C(=C(N=C3C=C2)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C16H14N2O9S/c19-14(20)11-9-7-8(28(25,26)18-3-5-27-6-4-18)1-2-10(9)17-13(16(23)24)12(11)15(21)22/h1-2,7H,3-6H2,(H,19,20)(H,21,22)(H,23,24)