Calcium Bis[2-[[[4-[[[[(Hydroxymethyl)Amino]Carbonyl]Amino]Sulphonyl]Phenyl]Amino]Carbonyl]Benzoate]
[CAS# 59672-20-7]

Identification

• Name: Calcium Bis[2-[[[4-[[[[(Hydroxymethyl)Amino]Carbonyl]Amino]Sulphonyl]Phenyl]Amino]Carbonyl]Benzoate]
• Synonyms: Calcium 2-[[[4-[[(Hydroxymethylamino)-Oxomethyl]Sulfamoyl]Phenyl]Amino]-Oxomethyl]Benzoic Acid; Calcium 2-[[4-(Methylolcarbamoylsulfamoyl)Phenyl]Carbamoyl]Benzoic Acid; Sulfaloxic Acid Calcium Salt
• Molecular Formula: C₁₆H₁₅CaN₃O₇S
• Molecular Weight: 433.45
• CAS Registry Number: 59672-20-7
• EINECS: 261-850-8
• SMILES: C1=C([S](NC(NCO)=O)(=O)=O)C=CC(=C1)NC(=O)C2=C(C=CC=C2)C(O)=O.[Ca++]
• InChI: 1S/C16H15N3O7S.Ca/c20-9-17-16(24)19-27(25,26)11-7-5-10(6-8-11)18-14(21)12-3-1-2-4-13(12)15(22)23;/h1-8,20H,9H2,(H,18,21)(H,22,23)(H2,17,19,24);/q;+2
• InChIKey: CEFREMBIPGHLSW-UHFFFAOYSA-N