2-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbonylamino]-4-chloranyl-benzoic acid

Systemtic Name: 2-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbonylamino]-4-chloranyl-benzoic acid Openeye Name: 4-chloro-2-[(1,1-dioxothiolane-3-carbonyl)amino]benzoic acid CAS Name: 4-chloro-2-[[(1,1-dioxo-3-thiolanyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[(1,1-dioxothiolane-3-carbonyl)amino]benzoic acid Traditional Name: 4-chloro-2-[(1,1-diketothiolane-3-carbonyl)amino]benzoic acid Formula: C12H12ClNO5S MolecularWeight: 317.74538

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1C(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

C1CS(=O)(=O)CC1C(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C12H12ClNO5S/c13-8-1-2-9(12(16)17)10(5-8)14-11(15)7-3-4-20(18,19)6-7/h1-2,5,7H,3-4,6H2,(H,14,15)(H,16,17)