potassium 2-carboxy-4-pentoxy-benzenesulfonate

Systemtic Name: potassium 2-carboxy-4-pentoxy-benzenesulfonate Openeye Name: potassium 2-carboxy-4-pentoxy-benzenesulfonate CAS Name: potassium 2-carboxy-4-pentoxybenzenesulfonate IUPAC Name: potassium 2-carboxy-4-pentoxybenzenesulfonate Traditional Name: potassium 4-amoxy-2-carboxy-besylate Formula: C12H15KO6S MolecularWeight: 326.4072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=C(C=C1)S(=O)(=O)[O-])C(=O)O.[K+]

Isomeric SMILES

CCCCCOC1=CC(=C(C=C1)S(=O)(=O)[O-])C(=O)O.[K+]

InChI

InChI=1S/C12H16O6S.K/c1-2-3-4-7-18-9-5-6-11(19(15,16)17)10(8-9)12(13)14;/h5-6,8H,2-4,7H2,1H3,(H,13,14)(H,15,16,17);/q;+1/p-1