2-methyl-5-octylsulfonyl-benzoic acid

Systemtic Name: 2-methyl-5-octylsulfonyl-benzoic acid Openeye Name: 2-methyl-5-octylsulfonyl-benzoic acid CAS Name: 2-methyl-5-octylsulfonylbenzoic acid IUPAC Name: 2-methyl-5-octylsulfonylbenzoic acid Traditional Name: 2-methyl-5-octylsulfonyl-benzoic acid Formula: C16H24O4S MolecularWeight: 312.42436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)O

InChI

InChI=1S/C16H24O4S/c1-3-4-5-6-7-8-11-21(19,20)14-10-9-13(2)15(12-14)16(17)18/h9-10,12H,3-8,11H2,1-2H3,(H,17,18)