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

Systemtic Name: tripotassium 4-[4-(4-ethylphenyl)phenyl]-1-phosphonato-butane-1-sulfonate Openeye Name: tripotassium 4-[4-(4-ethylphenyl)phenyl]-1-phosphonato-butane-1-sulfonate CAS Name: tripotassium 4-[4-(4-ethylphenyl)phenyl]-1-phosphonato-1-butanesulfonate IUPAC Name: tripotassium 4-[4-(4-ethylphenyl)phenyl]-1-phosphonatobutane-1-sulfonate Traditional Name: tripotassium 4-[4-(4-ethylphenyl)phenyl]-1-phosphonato-butane-1-sulfonate Formula: C18H20K3O6PS MolecularWeight: 512.681461

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-].[K+].[K+].[K+]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-].[K+].[K+].[K+]

InChI

InChI=1S/C18H23O6PS.3K/c1-2-14-6-10-16(11-7-14)17-12-8-15(9-13-17)4-3-5-18(25(19,20)21)26(22,23)24;;;/h6-13,18H,2-5H2,1H3,(H2,19,20,21)(H,22,23,24);;;/q;3*+1/p-3