2-(6-chloranylhexoxycarbonyl)benzenesulfonic acid

Systemtic Name: 2-(6-chloranylhexoxycarbonyl)benzenesulfonic acid Openeye Name: 2-(6-chlorohexoxycarbonyl)benzenesulfonic acid CAS Name: 2-[6-chlorohexoxy(oxo)methyl]benzenesulfonic acid IUPAC Name: 2-(6-chlorohexoxycarbonyl)benzenesulfonic acid Traditional Name: 2-(6-chlorohexoxycarbonyl)besylic acid Formula: C13H17ClO5S MolecularWeight: 320.78908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCCCCCCCl)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCCCCCCCl)S(=O)(=O)O

InChI

InChI=1S/C13H17ClO5S/c14-9-5-1-2-6-10-19-13(15)11-7-3-4-8-12(11)20(16,17)18/h3-4,7-8H,1-2,5-6,9-10H2,(H,16,17,18)