4-ethyl-3-(3-methylbutylsulfonyl)benzoic acid

Systemtic Name: 4-ethyl-3-(3-methylbutylsulfonyl)benzoic acid Openeye Name: 4-ethyl-3-isopentylsulfonyl-benzoic acid CAS Name: 4-ethyl-3-(3-methylbutylsulfonyl)benzoic acid IUPAC Name: 4-ethyl-3-(3-methylbutylsulfonyl)benzoic acid Traditional Name: 4-ethyl-3-isoamylsulfonyl-benzoic acid Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O4S/c1-4-11-5-6-12(14(15)16)9-13(11)19(17,18)8-7-10(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,16)