3-(2-ethoxyethylsulfonyl)-4-ethyl-benzoic acid

Systemtic Name: 3-(2-ethoxyethylsulfonyl)-4-ethyl-benzoic acid Openeye Name: 3-(2-ethoxyethylsulfonyl)-4-ethyl-benzoic acid CAS Name: 3-(2-ethoxyethylsulfonyl)-4-ethylbenzoic acid IUPAC Name: 3-(2-ethoxyethylsulfonyl)-4-ethylbenzoic acid Traditional Name: 3-(2-ethoxyethylsulfonyl)-4-ethyl-benzoic acid Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CCOCC

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CCOCC

InChI

InChI=1S/C13H18O5S/c1-3-10-5-6-11(13(14)15)9-12(10)19(16,17)8-7-18-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15)