4-(2-chloranyl-1-oxidanyl-octoxy)benzenesulfonic acid

Systemtic Name: 4-(2-chloranyl-1-oxidanyl-octoxy)benzenesulfonic acid Openeye Name: 4-(2-chloro-1-hydroxy-octoxy)benzenesulfonic acid CAS Name: 4-(2-chloro-1-hydroxyoctoxy)benzenesulfonic acid IUPAC Name: 4-(2-chloro-1-hydroxyoctoxy)benzenesulfonic acid Traditional Name: 4-(2-chloro-1-hydroxy-octoxy)besylic acid Formula: C14H21ClO5S MolecularWeight: 336.83154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(O)OC1=CC=C(C=C1)S(=O)(=O)O)Cl

Isomeric SMILES

CCCCCCC(C(O)OC1=CC=C(C=C1)S(=O)(=O)O)Cl

InChI

InChI=1S/C14H21ClO5S/c1-2-3-4-5-6-13(15)14(16)20-11-7-9-12(10-8-11)21(17,18)19/h7-10,13-14,16H,2-6H2,1H3,(H,17,18,19)