3-hexylsulfonylbenzoic acid

Systemtic Name: 3-hexylsulfonylbenzoic acid Openeye Name: 3-hexylsulfonylbenzoic acid CAS Name: 3-hexylsulfonylbenzoic acid IUPAC Name: 3-hexylsulfonylbenzoic acid Traditional Name: 3-hexylsulfonylbenzoic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4S/c1-2-3-4-5-9-18(16,17)12-8-6-7-11(10-12)13(14)15/h6-8,10H,2-5,9H2,1H3,(H,14,15)