sodium 4-(2-chloranyldecanoyloxy)benzenesulfonate

Systemtic Name: sodium 4-(2-chloranyldecanoyloxy)benzenesulfonate Openeye Name: sodium 4-(2-chlorodecanoyloxy)benzenesulfonate CAS Name: sodium 4-(2-chloro-1-oxodecoxy)benzenesulfonate IUPAC Name: sodium 4-(2-chlorodecanoyloxy)benzenesulfonate Traditional Name: sodium 4-(2-chlorodecanoyloxy)besylate Formula: C16H22ClNaO5S MolecularWeight: 384.85065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClO5S.Na/c1-2-3-4-5-6-7-8-15(17)16(18)22-13-9-11-14(12-10-13)23(19,20)21;/h9-12,15H,2-8H2,1H3,(H,19,20,21);/q;+1/p-1