2-methoxy-5-(3-methylbutylsulfonyl)benzoic acid

Systemtic Name: 2-methoxy-5-(3-methylbutylsulfonyl)benzoic acid Openeye Name: 5-isopentylsulfonyl-2-methoxy-benzoic acid CAS Name: 2-methoxy-5-(3-methylbutylsulfonyl)benzoic acid IUPAC Name: 2-methoxy-5-(3-methylbutylsulfonyl)benzoic acid Traditional Name: 5-isoamylsulfonyl-2-methoxy-benzoic acid Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O5S/c1-9(2)6-7-19(16,17)10-4-5-12(18-3)11(8-10)13(14)15/h4-5,8-9H,6-7H2,1-3H3,(H,14,15)