5-hexylsulfonyl-2-methyl-benzoic acid

Systemtic Name: 5-hexylsulfonyl-2-methyl-benzoic acid Openeye Name: 5-hexylsulfonyl-2-methyl-benzoic acid CAS Name: 5-hexylsulfonyl-2-methylbenzoic acid IUPAC Name: 5-hexylsulfonyl-2-methylbenzoic acid Traditional Name: 5-hexylsulfonyl-2-methyl-benzoic acid Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)O

Isomeric SMILES

CCCCCCS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)O

InChI

InChI=1S/C14H20O4S/c1-3-4-5-6-9-19(17,18)12-8-7-11(2)13(10-12)14(15)16/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)