oxidanyl-oxidanylidene-[1-oxidanyl-1-oxidanylidene-2-(5-sulfamoyl-2H-1,2,4-benzothiadiazin-3-yl)hexan-2-yl]phosphanium

Systemtic Name: oxidanyl-oxidanylidene-[1-oxidanyl-1-oxidanylidene-2-(5-sulfamoyl-2H-1,2,4-benzothiadiazin-3-yl)hexan-2-yl]phosphanium Openeye Name: [1-carboxy-1-(5-sulfamoyl-2H-1,2,4-benzothiadiazin-3-yl)pentyl]-hydroxy-oxo-phosphonium CAS Name: hydroxy-[1-hydroxy-1-oxo-2-(5-sulfamoyl-2H-1,2,4-benzothiadiazin-3-yl)hexan-2-yl]-oxophosphonium IUPAC Name: hydroxy-[1-hydroxy-1-oxo-2-(5-sulfamoyl-2H-1,2,4-benzothiadiazin-3-yl)hexan-2-yl]-oxophosphanium Traditional Name: [1-carboxy-1-(5-sulfamoyl-2H-1,2,4-benzothiadiazin-3-yl)pentyl]-hydroxy-keto-phosphonium Formula: C13H17N3O6PS2+ MolecularWeight: 406.394341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=NC2=C(C=CC=C2S(=O)(=O)N)SN1)(C(=O)O)[P+](=O)O

Isomeric SMILES

CCCCC(C1=NC2=C(C=CC=C2S(=O)(=O)N)SN1)(C(=O)O)[P+](=O)O

InChI

InChI=1S/C13H15N3O6PS2/c1-2-3-7-13(12(17)18,23(19)20)11-15-10-8(24-16-11)5-4-6-9(10)25(14,21)22/h4-6H,2-3,7H2,1H3,(H3-2,14,15,16,17,18,19,20,21,22)/q-1/p+2