4-ethyl-3-(3-methylbut-2-enylsulfonyl)benzoic acid

Systemtic Name: 4-ethyl-3-(3-methylbut-2-enylsulfonyl)benzoic acid Openeye Name: 4-ethyl-3-(3-methylbut-2-enylsulfonyl)benzoic acid CAS Name: 4-ethyl-3-(3-methylbut-2-enylsulfonyl)benzoic acid IUPAC Name: 4-ethyl-3-(3-methylbut-2-enylsulfonyl)benzoic acid Traditional Name: 4-ethyl-3-(3-methylbut-2-enylsulfonyl)benzoic acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4S/c1-4-11-5-6-12(14(15)16)9-13(11)19(17,18)8-7-10(2)3/h5-7,9H,4,8H2,1-3H3,(H,15,16)