4-ethyl-3-propylsulfonyl-benzoic acid

Systemtic Name: 4-ethyl-3-propylsulfonyl-benzoic acid Openeye Name: 4-ethyl-3-propylsulfonyl-benzoic acid CAS Name: 4-ethyl-3-propylsulfonylbenzoic acid IUPAC Name: 4-ethyl-3-propylsulfonylbenzoic acid Traditional Name: 4-ethyl-3-propylsulfonyl-benzoic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)CC

Isomeric SMILES

CCCS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)CC

InChI

InChI=1S/C12H16O4S/c1-3-7-17(15,16)11-8-10(12(13)14)6-5-9(11)4-2/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)