2-[[1,1-bis(oxidanylidene)thian-4-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[1,1-bis(oxidanylidene)thian-4-yl]carbamoyl]benzoic acid Openeye Name: 2-[(1,1-dioxothian-4-yl)carbamoyl]benzoic acid CAS Name: 2-[[(1,1-dioxo-4-thianyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(1,1-dioxothian-4-yl)carbamoyl]benzoic acid Traditional Name: 2-[(1,1-diketothian-4-yl)carbamoyl]benzoic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CS(=O)(=O)CCC1NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H15NO5S/c15-12(10-3-1-2-4-11(10)13(16)17)14-9-5-7-20(18,19)8-6-9/h1-4,9H,5-8H2,(H,14,15)(H,16,17)