potassium 4-(3-phenylprop-2-ynoxy)butane-1-sulfonate

Systemtic Name: potassium 4-(3-phenylprop-2-ynoxy)butane-1-sulfonate Openeye Name: potassium 4-(3-phenylprop-2-ynoxy)butane-1-sulfonate CAS Name: potassium 4-(3-phenylprop-2-ynoxy)-1-butanesulfonate IUPAC Name: potassium 4-(3-phenylprop-2-ynoxy)butane-1-sulfonate Traditional Name: potassium 4-(3-phenylprop-2-ynoxy)butane-1-sulfonate Formula: C13H15KO4S MolecularWeight: 306.4191

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCOCCCCS(=O)(=O)[O-].[K+]

Isomeric SMILES

C1=CC=C(C=C1)C#CCOCCCCS(=O)(=O)[O-].[K+]

InChI

InChI=1S/C13H16O4S.K/c14-18(15,16)12-5-4-10-17-11-6-9-13-7-2-1-3-8-13;/h1-3,7-8H,4-5,10-12H2,(H,14,15,16);/q;+1/p-1