Atn-2
[CAS# 119130-46-0]

Identification

• Name: Atn-2
• Synonyms: Indate(3-)-111In, (Aquahydroxygallate)(Mu-(Mono(2-(1-(13,17-Bis(2-Carboxyethyl)-7-Ethenyl-3,8,12,18-Tetramethyl-21H,23H-Porphin-2-Yl)Ethoxy)Ethyl) N,N-Bis(2-(Bis(Carboxymethyl)Amino)Ethyl)Glycinato(8-)))-, Trihydrogen; Indium(111)-Atn-2; (111)In-Atn-2
• Molecular Formula: C₅₀H₅₉GaInN₇O₁₇
• Molecular Weight: 1214.59
• CAS Registry Number: 119130-46-0
• SMILES: [111In+3].[Ga+3].[N-]3C4=CC1=C(C(=C([N-]1)C=C2N=C(C(=C2CCC([O-])=O)C)C=C5N=C(C=C3C(=C4C(OCCOC(=O)CN(CCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O)CC([O-])=O)C)C)C(=C5C)C=C)CCC([O-])=O)C.[H+].[H+].[H+].O.[OH-]
• InChI: 1S/C50H61N7O15.Ga.In.2H2O/c1-7-32-27(2)35-18-36-28(3)33(8-10-43(58)59)40(52-36)21-41-34(9-11-44(60)61)29(4)37(53-41)20-42-50(30(5)38(54-42)19-39(32)51-35)31(6)71-16-17-72-49(70)26-57(25-48(68)69)15-13-55(22-45(62)63)12-14-56(23-46(64)65)24-47(66)67;;;;/h7,18-21,31H,1,8-17,22-26H2,2-6H3,(H8,51,52,53,54,58,59,60,61,62,63,64,65,66,67,68,69);;;2*1H2/q;2*+3;;/p-6/i;;1-4
• InChIKey: UHBWZLWDCQKNAP-XVKFRELOSA-H