5-chloranyl-2-methoxy-3-(3-methylbut-2-enylsulfonyl)benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-3-(3-methylbut-2-enylsulfonyl)benzoic acid Openeye Name: 5-chloro-2-methoxy-3-(3-methylbut-2-enylsulfonyl)benzoic acid CAS Name: 5-chloro-2-methoxy-3-(3-methylbut-2-enylsulfonyl)benzoic acid IUPAC Name: 5-chloro-2-methoxy-3-(3-methylbut-2-enylsulfonyl)benzoic acid Traditional Name: 5-chloro-2-methoxy-3-(3-methylbut-2-enylsulfonyl)benzoic acid Formula: C13H15ClO5S MolecularWeight: 318.7732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)OC)C

Isomeric SMILES

CC(=CCS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)OC)C

InChI

InChI=1S/C13H15ClO5S/c1-8(2)4-5-20(17,18)11-7-9(14)6-10(13(15)16)12(11)19-3/h4,6-7H,5H2,1-3H3,(H,15,16)