zinc methyl 3-[8,12,18-tris(3-methoxy-3-oxidanylidene-propyl)-3,7,13,17-tetramethyl-10,20-dinitro-5,15-bis[3-(2-trimethylsilylethynyl)phenyl]porphyrin-21,24-diid-2-yl]propanoate

Systemtic Name: zinc methyl 3-[8,12,18-tris(3-methoxy-3-oxidanylidene-propyl)-3,7,13,17-tetramethyl-10,20-dinitro-5,15-bis[3-(2-trimethylsilylethynyl)phenyl]porphyrin-21,24-diid-2-yl]propanoate Openeye Name: zinc methyl 3-[8,12,18-tris(3-methoxy-3-oxo-propyl)-3,7,13,17-tetramethyl-10,20-dinitro-5,15-bis[3-(2-trimethylsilylethynyl)phenyl]porphyrin-21,24-diid-2-yl]propanoate CAS Name: zinc 3-[8,12,18-tris(3-methoxy-3-oxopropyl)-3,7,13,17-tetramethyl-10,20-dinitro-5,15-bis[3-(2-trimethylsilylethynyl)phenyl]-2-porphyrin-21,24-diidyl]propanoic acid methyl ester IUPAC Name: zinc methyl 3-[8,12,18-tris(3-methoxy-3-oxopropyl)-3,7,13,17-tetramethyl-10,20-dinitro-5,15-bis[3-(2-trimethylsilylethynyl)phenyl]porphyrin-21,24-diid-2-yl]propanoate Traditional Name: zinc 3-[8,12,18-tris(3-keto-3-methoxy-propyl)-3,7,13,17-tetramethyl-10,20-dinitro-5,15-bis[3-(2-trimethylsilylethynyl)phenyl]porphine-21,24-diid-2-yl]propionic acid methyl ester Formula: C62H66N6O12Si2Zn MolecularWeight: 1208.80044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C3=C(C(=C([N-]3)C(=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C(=C1[N-]2)C6=CC=CC(=C6)C#C[Si](C)(C)C)C)CCC(=O)OC)[N+](=O)[O-])CCC(=O)OC)C)C7=CC=CC(=C7)C#C[Si](C)(C)C)C)CCC(=O)OC)[N+](=O)[O-])CCC(=O)OC.[Zn+2]

Isomeric SMILES

CC1=C(C2=C(C3=C(C(=C([N-]3)C(=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C(=C1[N-]2)C6=CC=CC(=C6)C#C[Si](C)(C)C)C)CCC(=O)OC)[N+](=O)[O-])CCC(=O)OC)C)C7=CC=CC(=C7)C#C[Si](C)(C)C)C)CCC(=O)OC)[N+](=O)[O-])CCC(=O)OC.[Zn+2]

InChI

InChI=1S/C62H66N6O12Si2.Zn/c1-35-43(21-25-47(69)77-5)57-61(67(73)74)58-45(23-27-49(71)79-7)37(3)55(65-58)52(42-20-16-18-40(34-42)30-32-82(12,13)14)56-38(4)46(24-28-50(72)80-8)60(66-56)62(68(75)76)59-44(22-26-48(70)78-6)36(2)54(64-59)51(53(35)63-57)41-19-15-17-39(33-41)29-31-81(9,10)11;/h15-20,33-34H,21-28H2,1-14H3;/q-2;+2