potassium 3-decanoyloxy-4-methoxy-benzenesulfonate

Systemtic Name: potassium 3-decanoyloxy-4-methoxy-benzenesulfonate Openeye Name: potassium 3-decanoyloxy-4-methoxy-benzenesulfonate CAS Name: potassium 4-methoxy-3-(1-oxodecoxy)benzenesulfonate IUPAC Name: potassium 3-decanoyloxy-4-methoxybenzenesulfonate Traditional Name: potassium 3-capryloxy-4-methoxy-besylate Formula: C17H25KO6S MolecularWeight: 396.5401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26O6S.K/c1-3-4-5-6-7-8-9-10-17(18)23-16-13-14(24(19,20)21)11-12-15(16)22-2;/h11-13H,3-10H2,1-2H3,(H,19,20,21);/q;+1/p-1