4-methoxy-3-pentylsulfonyl-benzoic acid

Systemtic Name: 4-methoxy-3-pentylsulfonyl-benzoic acid Openeye Name: 4-methoxy-3-pentylsulfonyl-benzoic acid CAS Name: 4-methoxy-3-pentylsulfonylbenzoic acid IUPAC Name: 4-methoxy-3-pentylsulfonylbenzoic acid Traditional Name: 3-amylsulfonyl-4-methoxy-benzoic acid Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O5S/c1-3-4-5-8-19(16,17)12-9-10(13(14)15)6-7-11(12)18-2/h6-7,9H,3-5,8H2,1-2H3,(H,14,15)