sodium 4-(2-chloranylnonanoyloxy)benzenesulfonate

Systemtic Name: sodium 4-(2-chloranylnonanoyloxy)benzenesulfonate Openeye Name: sodium 4-(2-chlorononanoyloxy)benzenesulfonate CAS Name: sodium 4-(2-chloro-1-oxononoxy)benzenesulfonate IUPAC Name: sodium 4-(2-chlorononanoyloxy)benzenesulfonate Traditional Name: sodium 4-(2-chlorononanoyloxy)besylate Formula: C15H20ClNaO5S MolecularWeight: 370.82407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClO5S.Na/c1-2-3-4-5-6-7-14(16)15(17)21-12-8-10-13(11-9-12)22(18,19)20;/h8-11,14H,2-7H2,1H3,(H,18,19,20);/q;+1/p-1