tripotassium 1-phosphonato-4-[4-(4-propylphenyl)phenyl]butane-1-sulfonate

Systemtic Name: tripotassium 1-phosphonato-4-[4-(4-propylphenyl)phenyl]butane-1-sulfonate Openeye Name: tripotassium 1-phosphonato-4-[4-(4-propylphenyl)phenyl]butane-1-sulfonate CAS Name: tripotassium 1-phosphonato-4-[4-(4-propylphenyl)phenyl]-1-butanesulfonate IUPAC Name: tripotassium 1-phosphonato-4-[4-(4-propylphenyl)phenyl]butane-1-sulfonate Traditional Name: tripotassium 1-phosphonato-4-[4-(4-propylphenyl)phenyl]butane-1-sulfonate Formula: C19H22K3O6PS MolecularWeight: 526.708041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25O6PS.3K/c1-2-4-15-7-11-17(12-8-15)18-13-9-16(10-14-18)5-3-6-19(26(20,21)22)27(23,24)25;;;/h7-14,19H,2-6H2,1H3,(H2,20,21,22)(H,23,24,25);;;/q;3*+1/p-3