potassium 1-phosphono-4-[3-(4-propylphenoxy)phenyl]butane-1-sulfonate

Systemtic Name: potassium 1-phosphono-4-[3-(4-propylphenoxy)phenyl]butane-1-sulfonate Openeye Name: potassium 1-phosphono-4-[3-(4-propylphenoxy)phenyl]butane-1-sulfonate CAS Name: potassium 1-phosphono-4-[3-(4-propylphenoxy)phenyl]-1-butanesulfonate IUPAC Name: potassium 1-phosphono-4-[3-(4-propylphenoxy)phenyl]butane-1-sulfonate Traditional Name: potassium 1-phosphono-4-[3-(4-propylphenoxy)phenyl]butane-1-sulfonate Formula: C19H24KO7PS MolecularWeight: 466.526721

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC2=CC=CC(=C2)CCCC(P(=O)(O)O)S(=O)(=O)[O-].[K+]

Isomeric SMILES

CCCC1=CC=C(C=C1)OC2=CC=CC(=C2)CCCC(P(=O)(O)O)S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C19H25O7PS.K/c1-2-5-15-10-12-17(13-11-15)26-18-8-3-6-16(14-18)7-4-9-19(27(20,21)22)28(23,24)25;/h3,6,8,10-14,19H,2,4-5,7,9H2,1H3,(H2,20,21,22)(H,23,24,25);/q;+1/p-1