5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylimino)-5-oxidanidyl-pentanoate

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylimino)-5-oxidanidyl-pentanoate Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylimino)-5-oxido-pentanoate CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylimino)-5-oxidopentanoate IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylimino)-5-oxidopentanoate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylimino)-5-oxido-valerate Formula: C13H13NO7S-2 MolecularWeight: 327.30982

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N=C(CCCC(=O)[O-])[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N=C(CCCC(=O)[O-])[O-]

InChI

InChI=1S/C13H15NO7S/c15-12(2-1-3-13(16)17)14-22(18,19)9-4-5-10-11(8-9)21-7-6-20-10/h4-5,8H,1-3,6-7H2,(H,14,15)(H,16,17)/p-2