potassium 4-methyl-3-nonanoyloxy-benzenesulfonate

Systemtic Name: potassium 4-methyl-3-nonanoyloxy-benzenesulfonate Openeye Name: potassium 4-methyl-3-nonanoyloxy-benzenesulfonate CAS Name: potassium 4-methyl-3-(1-oxononoxy)benzenesulfonate IUPAC Name: potassium 4-methyl-3-nonanoyloxybenzenesulfonate Traditional Name: potassium 4-methyl-3-pelargonyloxy-besylate Formula: C16H23KO5S MolecularWeight: 366.51412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O5S.K/c1-3-4-5-6-7-8-9-16(17)21-15-12-14(22(18,19)20)11-10-13(15)2;/h10-12H,3-9H2,1-2H3,(H,18,19,20);/q;+1/p-1