4-chloranyl-3-(3,3-dimethyl-2-oxidanylidene-morpholin-4-yl)sulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-(3,3-dimethyl-2-oxidanylidene-morpholin-4-yl)sulfonyl-benzoic acid Openeye Name: 4-chloro-3-(3,3-dimethyl-2-oxo-morpholin-4-yl)sulfonyl-benzoic acid CAS Name: 4-chloro-3-[(3,3-dimethyl-2-oxo-4-morpholinyl)sulfonyl]benzoic acid IUPAC Name: 4-chloro-3-(3,3-dimethyl-2-oxomorpholin-4-yl)sulfonylbenzoic acid Traditional Name: 4-chloro-3-(2-keto-3,3-dimethyl-morpholino)sulfonyl-benzoic acid Formula: C13H14ClNO6S MolecularWeight: 347.77136

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)OCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)C

Isomeric SMILES

CC1(C(=O)OCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)C

InChI

InChI=1S/C13H14ClNO6S/c1-13(2)12(18)21-6-5-15(13)22(19,20)10-7-8(11(16)17)3-4-9(10)14/h3-4,7H,5-6H2,1-2H3,(H,16,17)