2-(2-methoxy-3-propyl-phenyl)sulfonyloxy-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-(2-methoxy-3-propyl-phenyl)sulfonyloxy-2-oxidanylidene-ethanoic acid Openeye Name: 2-(2-methoxy-3-propyl-phenyl)sulfonyloxy-2-oxo-acetic acid CAS Name: 2-(2-methoxy-3-propylphenyl)sulfonyloxy-2-oxoacetic acid IUPAC Name: 2-(2-methoxy-3-propylphenyl)sulfonyloxy-2-oxoacetic acid Traditional Name: 2-keto-2-(2-methoxy-3-propyl-phenyl)sulfonyloxy-acetic acid Formula: C12H14O7S MolecularWeight: 302.30036

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC=C1)S(=O)(=O)OC(=O)C(=O)O)OC

Isomeric SMILES

CCCC1=C(C(=CC=C1)S(=O)(=O)OC(=O)C(=O)O)OC

InChI

InChI=1S/C12H14O7S/c1-3-5-8-6-4-7-9(10(8)18-2)20(16,17)19-12(15)11(13)14/h4,6-7H,3,5H2,1-2H3,(H,13,14)