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

Systemtic Name: tripotassium 1-phosphonato-4-[4-(3-propylphenyl)phenyl]butane-1-sulfonate Openeye Name: tripotassium 1-phosphonato-4-[4-(3-propylphenyl)phenyl]butane-1-sulfonate CAS Name: tripotassium 1-phosphonato-4-[4-(3-propylphenyl)phenyl]-1-butanesulfonate IUPAC Name: tripotassium 1-phosphonato-4-[4-(3-propylphenyl)phenyl]butane-1-sulfonate Traditional Name: tripotassium 1-phosphonato-4-[4-(3-propylphenyl)phenyl]butane-1-sulfonate Formula: C19H22K3O6PS MolecularWeight: 526.708041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25O6PS.3K/c1-2-5-16-7-3-8-18(14-16)17-12-10-15(11-13-17)6-4-9-19(26(20,21)22)27(23,24)25;;;/h3,7-8,10-14,19H,2,4-6,9H2,1H3,(H2,20,21,22)(H,23,24,25);;;/q;3*+1/p-3