3-[3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanylpropoxy]benzoate

Systemtic Name: 3-[3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanylpropoxy]benzoate Openeye Name: 3-[3-(2-oxido-2-oxo-ethyl)sulfanylpropoxy]benzoate CAS Name: 3-[3-[(2-oxido-2-oxoethyl)thio]propoxy]benzoate IUPAC Name: 3-[3-(2-oxido-2-oxoethyl)sulfanylpropoxy]benzoate Traditional Name: 3-[3-[(2-keto-2-oxido-ethyl)thio]propoxy]benzoate Formula: C12H12O5S-2 MolecularWeight: 268.28568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCSCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OCCCSCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H14O5S/c13-11(14)8-18-6-2-5-17-10-4-1-3-9(7-10)12(15)16/h1,3-4,7H,2,5-6,8H2,(H,13,14)(H,15,16)/p-2