sodium 4-(2-chloranyloctanoyloxy)benzenesulfonate

Systemtic Name: sodium 4-(2-chloranyloctanoyloxy)benzenesulfonate Openeye Name: sodium 4-(2-chlorooctanoyloxy)benzenesulfonate CAS Name: sodium 4-(2-chloro-1-oxooctoxy)benzenesulfonate IUPAC Name: sodium 4-(2-chlorooctanoyloxy)benzenesulfonate Traditional Name: sodium 4-(2-chlorooctanoyloxy)besylate Formula: C14H18ClNaO5S MolecularWeight: 356.79749

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

CCCCCCC(C(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C14H19ClO5S.Na/c1-2-3-4-5-6-13(15)14(16)20-11-7-9-12(10-8-11)21(17,18)19;/h7-10,13H,2-6H2,1H3,(H,17,18,19);/q;+1/p-1