sodium 2-(2-chloranyldecanoyloxy)benzenesulfonate

Systemtic Name: sodium 2-(2-chloranyldecanoyloxy)benzenesulfonate Openeye Name: sodium 2-(2-chlorodecanoyloxy)benzenesulfonate CAS Name: sodium 2-(2-chloro-1-oxodecoxy)benzenesulfonate IUPAC Name: sodium 2-(2-chlorodecanoyloxy)benzenesulfonate Traditional Name: sodium 2-(2-chlorodecanoyloxy)besylate Formula: C16H22ClNaO5S MolecularWeight: 384.85065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)OC1=CC=CC=C1S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

CCCCCCCCC(C(=O)OC1=CC=CC=C1S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C16H23ClO5S.Na/c1-2-3-4-5-6-7-10-13(17)16(18)22-14-11-8-9-12-15(14)23(19,20)21;/h8-9,11-13H,2-7,10H2,1H3,(H,19,20,21);/q;+1/p-1