4-ethoxy-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-ethoxy-3-methylsulfonyl-benzoic acid Openeye Name: 4-ethoxy-3-methylsulfonyl-benzoic acid CAS Name: 4-ethoxy-3-methylsulfonylbenzoic acid IUPAC Name: 4-ethoxy-3-methylsulfonylbenzoic acid Traditional Name: 4-ethoxy-3-mesyl-benzoic acid Formula: C10H12O5S MolecularWeight: 244.26428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C10H12O5S/c1-3-15-8-5-4-7(10(11)12)6-9(8)16(2,13)14/h4-6H,3H2,1-2H3,(H,11,12)