zinc methyl 3-[3,7,13,17-tetraethyl-10,15,20-tris(3-methoxycarbonylphenyl)-2,8,12,18-tetramethyl-porphyrin-21,22-diid-5-yl]benzoate

Systemtic Name: zinc methyl 3-[3,7,13,17-tetraethyl-10,15,20-tris(3-methoxycarbonylphenyl)-2,8,12,18-tetramethyl-porphyrin-21,22-diid-5-yl]benzoate Openeye Name: zinc methyl 3-[3,7,13,17-tetraethyl-10,15,20-tris(3-methoxycarbonylphenyl)-2,8,12,18-tetramethyl-porphyrin-21,22-diid-5-yl]benzoate CAS Name: zinc 3-[3,7,13,17-tetraethyl-10,15,20-tris(3-methoxycarbonylphenyl)-2,8,12,18-tetramethyl-5-porphyrin-21,22-diidyl]benzoic acid methyl ester IUPAC Name: zinc methyl 3-[3,7,13,17-tetraethyl-10,15,20-tris(3-methoxycarbonylphenyl)-2,8,12,18-tetramethylporphyrin-21,22-diid-5-yl]benzoate Traditional Name: zinc 3-[10,15,20-tris(3-carbomethoxyphenyl)-3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-porphine-21,22-diid-5-yl]benzoic acid methyl ester Formula: C64H60N4O8Zn MolecularWeight: 1078.5922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=NC(=C(C4=NC(=C(C5=C(C(=C([N-]5)C(=C1[N-]2)C6=CC(=CC=C6)C(=O)OC)CC)C)C7=CC(=CC=C7)C(=O)OC)C(=C4CC)C)C8=CC(=CC=C8)C(=O)OC)C(=C3C)CC)C9=CC(=CC=C9)C(=O)OC)C.[Zn+2]

Isomeric SMILES

CCC1=C(C2=C(C3=NC(=C(C4=NC(=C(C5=C(C(=C([N-]5)C(=C1[N-]2)C6=CC(=CC=C6)C(=O)OC)CC)C)C7=CC(=CC=C7)C(=O)OC)C(=C4CC)C)C8=CC(=CC=C8)C(=O)OC)C(=C3C)CC)C9=CC(=CC=C9)C(=O)OC)C.[Zn+2]

InChI

InChI=1S/C64H60N4O8.Zn/c1-13-45-33(5)53-49(37-21-17-25-41(29-37)61(69)73-9)54-35(7)47(15-3)59(67-54)52(40-24-20-28-44(32-40)64(72)76-12)60-48(16-4)36(8)56(68-60)50(38-22-18-26-42(30-38)62(70)74-10)55-34(6)46(14-2)58(66-55)51(57(45)65-53)39-23-19-27-43(31-39)63(71)75-11;/h17-32H,13-16H2,1-12H3;/q-2;+2