5-ethylsulfonyl-2-propoxy-benzoic acid

Systemtic Name: 5-ethylsulfonyl-2-propoxy-benzoic acid Openeye Name: 5-ethylsulfonyl-2-propoxy-benzoic acid CAS Name: 5-ethylsulfonyl-2-propoxybenzoic acid IUPAC Name: 5-ethylsulfonyl-2-propoxybenzoic acid Traditional Name: 5-esyl-2-propoxy-benzoic acid Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)CC)C(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)CC)C(=O)O

InChI

InChI=1S/C12H16O5S/c1-3-7-17-11-6-5-9(18(15,16)4-2)8-10(11)12(13)14/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)