4-[[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]carbonyl]benzoic acid

Systemtic Name: 4-[[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]carbonyl]benzoic acid Openeye Name: 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)benzoic acid CAS Name: 4-[(1,1-dioxo-1,4-thiazinan-4-yl)-oxomethyl]benzoic acid IUPAC Name: 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)benzoic acid Traditional Name: 4-(1,1-diketo-1,4-thiazinane-4-carbonyl)benzoic acid Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCN1C(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CS(=O)(=O)CCN1C(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H13NO5S/c14-11(13-5-7-19(17,18)8-6-13)9-1-3-10(4-2-9)12(15)16/h1-4H,5-8H2,(H,15,16)