gallium; 3-[13-[1-[2-[2-[2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoyloxy]ethoxy]ethyl]-8-ethenyl-3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; indium-111(3+); hydroxide; hydrate

Systemtic Name: gallium; 3-[13-[1-[2-[2-[2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoyloxy]ethoxy]ethyl]-8-ethenyl-3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; indium-111(3+); hydroxide; hydrate Openeye Name: gallium; 3-[13-[1-[2-[2-[2-[2-[bis(2-oxido-2-oxo-ethyl)amino]ethyl-(2-oxido-2-oxo-ethyl)amino]ethyl-(2-oxido-2-oxo-ethyl)amino]acetyl]oxyethoxy]ethyl]-3,7,12,17-tetramethyl-18-(3-oxido-3-oxo-propyl)-8-vinyl-porphyrin-21,24-diid-2-yl]propanoate; hydron; indium-111(3+); hydroxide; hydrate CAS Name: gallium; 3-[13-[1-[2-[2-[2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]-1-oxoethoxy]ethoxy]ethyl]-8-ethenyl-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)-2-porphyrin-21,24-diidyl]propanoate; hydron; indium-111(3+); hydroxide; hydrate IUPAC Name: gallium; 3-[13-[1-[2-[2-[2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]acetyl]oxyethoxy]ethyl]-8-ethenyl-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; indium-111(3+); hydroxide; hydrate Traditional Name: gallium; 3-[13-[1-[2-[2-[2-[2-[bis(2-keto-2-oxido-ethyl)amino]ethyl-(2-keto-2-oxido-ethyl)amino]ethyl-(2-keto-2-oxido-ethyl)amino]acetyl]oxyethoxy]ethyl]-18-(3-keto-3-oxido-propyl)-3,7,12,17-tetramethyl-8-vinyl-porphine-21,24-diid-2-yl]propionate; hydron; indium-111(3+); hydroxide; hydrate Formula: C50H59GaInN7O17 MolecularWeight: 1210.668271

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].[H+].CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C(C)OCCOC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C)CCC(=O)[O-])CCC(=O)[O-].O.[OH-].[Ga+3].[In+3]

Isomeric SMILES

[H+].[H+].[H+].CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C(C)OCCOC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C)CCC(=O)[O-])CCC(=O)[O-].O.[OH-].[Ga+3].[111In+3]

InChI

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;;