tripotassium 4-[4-[4-(2-methylprop-1-enyl)phenyl]phenyl]-1-phosphonato-butane-1-sulfonate

Systemtic Name: tripotassium 4-[4-[4-(2-methylprop-1-enyl)phenyl]phenyl]-1-phosphonato-butane-1-sulfonate Openeye Name: tripotassium 4-[4-[4-(2-methylprop-1-enyl)phenyl]phenyl]-1-phosphonato-butane-1-sulfonate CAS Name: tripotassium 4-[4-[4-(2-methylprop-1-enyl)phenyl]phenyl]-1-phosphonato-1-butanesulfonate IUPAC Name: tripotassium 4-[4-[4-(2-methylprop-1-enyl)phenyl]phenyl]-1-phosphonatobutane-1-sulfonate Traditional Name: tripotassium 4-[4-[4-(2-methylprop-1-enyl)phenyl]phenyl]-1-phosphonato-butane-1-sulfonate Formula: C20H22K3O6PS MolecularWeight: 538.718741

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-])C.[K+].[K+].[K+]

Isomeric SMILES

CC(=CC1=CC=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-])C.[K+].[K+].[K+]

InChI

InChI=1S/C20H25O6PS.3K/c1-15(2)14-17-8-12-19(13-9-17)18-10-6-16(7-11-18)4-3-5-20(27(21,22)23)28(24,25)26;;;/h6-14,20H,3-5H2,1-2H3,(H2,21,22,23)(H,24,25,26);;;/q;3*+1/p-3