5-chloranylsulfonyl-2-hexoxy-benzoic acid

Systemtic Name: 5-chloranylsulfonyl-2-hexoxy-benzoic acid Openeye Name: 5-chlorosulfonyl-2-hexoxy-benzoic acid CAS Name: 5-chlorosulfonyl-2-hexoxybenzoic acid IUPAC Name: 5-chlorosulfonyl-2-hexoxybenzoic acid Traditional Name: 5-chlorosulfonyl-2-hexoxy-benzoic acid Formula: C13H17ClO5S MolecularWeight: 320.78908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)S(=O)(=O)Cl)C(=O)O

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)S(=O)(=O)Cl)C(=O)O

InChI

InChI=1S/C13H17ClO5S/c1-2-3-4-5-8-19-12-7-6-10(20(14,17)18)9-11(12)13(15)16/h6-7,9H,2-5,8H2,1H3,(H,15,16)