potassium 4-[4-(4-methylphenyl)phenyl]-1-phosphono-butane-1-sulfonate

Systemtic Name: potassium 4-[4-(4-methylphenyl)phenyl]-1-phosphono-butane-1-sulfonate Openeye Name: potassium 1-phosphono-4-[4-(p-tolyl)phenyl]butane-1-sulfonate CAS Name: potassium 4-[4-(4-methylphenyl)phenyl]-1-phosphono-1-butanesulfonate IUPAC Name: potassium 4-[4-(4-methylphenyl)phenyl]-1-phosphonobutane-1-sulfonate Traditional Name: potassium 1-phosphono-4-[4-(p-tolyl)phenyl]butane-1-sulfonate Formula: C17H20KO6PS MolecularWeight: 422.474161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21O6PS.K/c1-13-5-9-15(10-6-13)16-11-7-14(8-12-16)3-2-4-17(24(18,19)20)25(21,22)23;/h5-12,17H,2-4H2,1H3,(H2,18,19,20)(H,21,22,23);/q;+1/p-1