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

Systemtic Name: 4-methoxy-3-(3-methylbutylsulfonyl)benzoic acid Openeye Name: 3-isopentylsulfonyl-4-methoxy-benzoic acid CAS Name: 4-methoxy-3-(3-methylbutylsulfonyl)benzoic acid IUPAC Name: 4-methoxy-3-(3-methylbutylsulfonyl)benzoic acid Traditional Name: 3-isoamylsulfonyl-4-methoxy-benzoic acid Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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