potassium 4-(3-phenylazanylphenyl)-1-phosphono-butane-1-sulfonate

Systemtic Name: potassium 4-(3-phenylazanylphenyl)-1-phosphono-butane-1-sulfonate Openeye Name: potassium 4-(3-anilinophenyl)-1-phosphono-butane-1-sulfonate CAS Name: potassium 4-(3-anilinophenyl)-1-phosphono-1-butanesulfonate IUPAC Name: potassium 4-(3-anilinophenyl)-1-phosphonobutane-1-sulfonate Traditional Name: potassium 4-(3-anilinophenyl)-1-phosphono-butane-1-sulfonate Formula: C16H19KNO6PS MolecularWeight: 423.462221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=CC(=C2)CCCC(P(=O)(O)O)S(=O)(=O)[O-].[K+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=CC(=C2)CCCC(P(=O)(O)O)S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C16H20NO6PS.K/c18-24(19,20)16(25(21,22)23)11-5-7-13-6-4-10-15(12-13)17-14-8-2-1-3-9-14;/h1-4,6,8-10,12,16-17H,5,7,11H2,(H2,18,19,20)(H,21,22,23);/q;+1/p-1