sodium 2-(2-chloranylnonanoyloxy)benzenesulfonate

Systemtic Name: sodium 2-(2-chloranylnonanoyloxy)benzenesulfonate Openeye Name: sodium 2-(2-chlorononanoyloxy)benzenesulfonate CAS Name: sodium 2-(2-chloro-1-oxononoxy)benzenesulfonate IUPAC Name: sodium 2-(2-chlorononanoyloxy)benzenesulfonate Traditional Name: sodium 2-(2-chlorononanoyloxy)besylate Formula: C15H20ClNaO5S MolecularWeight: 370.82407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClO5S.Na/c1-2-3-4-5-6-9-12(16)15(17)21-13-10-7-8-11-14(13)22(18,19)20;/h7-8,10-12H,2-6,9H2,1H3,(H,18,19,20);/q;+1/p-1