tripotassium 1-phosphonato-4-[3-(2-propylphenoxy)phenyl]butane-1-sulfonate

Systemtic Name: tripotassium 1-phosphonato-4-[3-(2-propylphenoxy)phenyl]butane-1-sulfonate Openeye Name: tripotassium 1-phosphonato-4-[3-(2-propylphenoxy)phenyl]butane-1-sulfonate CAS Name: tripotassium 1-phosphonato-4-[3-(2-propylphenoxy)phenyl]-1-butanesulfonate IUPAC Name: tripotassium 1-phosphonato-4-[3-(2-propylphenoxy)phenyl]butane-1-sulfonate Traditional Name: tripotassium 1-phosphonato-4-[3-(2-propylphenoxy)phenyl]butane-1-sulfonate Formula: C19H22K3O7PS MolecularWeight: 542.707441

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1OC2=CC=CC(=C2)CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-].[K+].[K+].[K+]

Isomeric SMILES

CCCC1=CC=CC=C1OC2=CC=CC(=C2)CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-].[K+].[K+].[K+]

InChI

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