2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-6-chloranyl-benzoic acid

Systemtic Name: 2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-6-chloranyl-benzoic acid Openeye Name: 2-chloro-6-[(1,1-dioxothiolan-3-yl)-methyl-amino]benzoic acid CAS Name: 2-chloro-6-[(1,1-dioxo-3-thiolanyl)-methylamino]benzoic acid IUPAC Name: 2-chloro-6-[(1,1-dioxothiolan-3-yl)-methylamino]benzoic acid Traditional Name: 2-chloro-6-[(1,1-diketothiolan-3-yl)-methyl-amino]benzoic acid Formula: C12H14ClNO4S MolecularWeight: 303.76186

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C2=C(C(=CC=C2)Cl)C(=O)O

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C2=C(C(=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C12H14ClNO4S/c1-14(8-5-6-19(17,18)7-8)10-4-2-3-9(13)11(10)12(15)16/h2-4,8H,5-7H2,1H3,(H,15,16)