4-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-carbamoyl]benzoic acid

Systemtic Name: 4-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-carbamoyl]benzoic acid Openeye Name: 4-[(1,1-dioxothiolan-3-yl)-methyl-carbamoyl]benzoic acid CAS Name: 4-[[(1,1-dioxo-3-thiolanyl)-methylamino]-oxomethyl]benzoic acid IUPAC Name: 4-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]benzoic acid Traditional Name: 4-[(1,1-diketothiolan-3-yl)-methyl-carbamoyl]benzoic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5S/c1-14(11-6-7-20(18,19)8-11)12(15)9-2-4-10(5-3-9)13(16)17/h2-5,11H,6-8H2,1H3,(H,16,17)