3-(dimethylphosphinothioylmethyl)-5-(2H-1,2,3,4-tetrazol-5-yl)benzoic acid

Systemtic Name: 3-(dimethylphosphinothioylmethyl)-5-(2H-1,2,3,4-tetrazol-5-yl)benzoic acid Openeye Name: 3-(dimethylphosphinothioylmethyl)-5-(2H-tetrazol-5-yl)benzoic acid CAS Name: 3-(dimethylphosphinothioylmethyl)-5-(2H-tetrazol-5-yl)benzoic acid IUPAC Name: 3-(dimethylphosphinothioylmethyl)-5-(2H-tetrazol-5-yl)benzoic acid Traditional Name: 3-(dimethylthiophosphorylmethyl)-5-(2H-tetrazol-5-yl)benzoic acid Formula: C11H13N4O2PS MolecularWeight: 296.285281

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Descriptors Computed from Structure

Canonical SMILES:

CP(=S)(C)CC1=CC(=CC(=C1)C(=O)O)C2=NNN=N2

Isomeric SMILES

CP(=S)(C)CC1=CC(=CC(=C1)C(=O)O)C2=NNN=N2

InChI

InChI=1S/C11H13N4O2PS/c1-18(2,19)6-7-3-8(10-12-14-15-13-10)5-9(4-7)11(16)17/h3-5H,6H2,1-2H3,(H,16,17)(H,12,13,14,15)