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

Systemtic Name: 4-[[1,1-bis(oxidanylidene)thian-4-yl]carbamoyl]benzoic acid Openeye Name: 4-[(1,1-dioxothian-4-yl)carbamoyl]benzoic acid CAS Name: 4-[[(1,1-dioxo-4-thianyl)amino]-oxomethyl]benzoic acid IUPAC Name: 4-[(1,1-dioxothian-4-yl)carbamoyl]benzoic acid Traditional Name: 4-[(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=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

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