gallium; 2-[3-[18-[3-[[1,4-bis(oxidanidyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanylidene-propyl]-8,13-bis(1-decoxyethyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoylamino]butanedioate; hydron

Systemtic Name: gallium; 2-[3-[18-[3-[[1,4-bis(oxidanidyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanylidene-propyl]-8,13-bis(1-decoxyethyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoylamino]butanedioate; hydron Openeye Name: gallium; 2-[3-[18-[3-[(1-carboxylato-3-oxido-3-oxo-propyl)amino]-3-oxo-propyl]-8,13-bis(1-decoxyethyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoylamino]butanedioate; hydron CAS Name: gallium; 2-[[3-[8,13-bis(1-decoxyethyl)-18-[3-[(1,4-dioxido-1,4-dioxobutan-2-yl)amino]-3-oxopropyl]-3,7,12,17-tetramethyl-2-porphyrin-21,24-diidyl]-1-oxopropyl]amino]butanedioate; hydron IUPAC Name: gallium; 2-[3-[8,13-bis(1-decoxyethyl)-18-[3-[(1,4-dioxido-1,4-dioxobutan-2-yl)amino]-3-oxopropyl]-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoylamino]butanedioate; hydron Traditional Name: gallium; 2-[3-[18-[3-[(1-carboxylato-3-keto-3-oxido-propyl)amino]-3-keto-propyl]-8,13-bis(1-decoxyethyl)-3,7,12,17-tetramethyl-porphine-21,24-diid-2-yl]propanoylamino]succinate; hydron Formula: C62H85GaN6O12 MolecularWeight: 1176.0943

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].[H+].CCCCCCCCCCOC(C)C1=C(C2=NC1=CC3=C(C(=C([N-]3)C=C4C(=C(C(=CC5=NC(=C2)C(=C5C)C(C)OCCCCCCCCCC)[N-]4)C)CCC(=O)NC(CC(=O)[O-])C(=O)[O-])CCC(=O)NC(CC(=O)[O-])C(=O)[O-])C)C.[Ga+3]

Isomeric SMILES

[H+].[H+].[H+].CCCCCCCCCCOC(C)C1=C(C2=NC1=CC3=C(C(=C([N-]3)C=C4C(=C(C(=CC5=NC(=C2)C(=C5C)C(C)OCCCCCCCCCC)[N-]4)C)CCC(=O)NC(CC(=O)[O-])C(=O)[O-])CCC(=O)NC(CC(=O)[O-])C(=O)[O-])C)C.[Ga+3]

InChI

InChI=1S/C62H88N6O12.Ga/c1-9-11-13-15-17-19-21-23-29-79-41(7)59-39(5)47-31-45-37(3)43(25-27-55(69)67-53(61(75)76)35-57(71)72)49(63-45)34-50-44(26-28-56(70)68-54(62(77)78)36-58(73)74)38(4)46(64-50)32-51-60(40(6)48(66-51)33-52(59)65-47)42(8)80-30-24-22-20-18-16-14-12-10-2;/h31-34,41-42,53-54H,9-30,35-36H2,1-8H3,(H8,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78);/q;+3/p-3