zinc methyl 3-[5-(4-ethynylphenyl)-8,12,18-tris(3-methoxy-3-oxidanylidene-propyl)-3,7,13,17-tetramethyl-15-phenyl-porphyrin-21,22-diid-2-yl]propanoate

Systemtic Name: zinc methyl 3-[5-(4-ethynylphenyl)-8,12,18-tris(3-methoxy-3-oxidanylidene-propyl)-3,7,13,17-tetramethyl-15-phenyl-porphyrin-21,22-diid-2-yl]propanoate Openeye Name: zinc methyl 3-[5-(4-ethynylphenyl)-8,12,18-tris(3-methoxy-3-oxo-propyl)-3,7,13,17-tetramethyl-15-phenyl-porphyrin-21,22-diid-2-yl]propanoate CAS Name: zinc 3-[5-(4-ethynylphenyl)-8,12,18-tris(3-methoxy-3-oxopropyl)-3,7,13,17-tetramethyl-15-phenyl-2-porphyrin-21,22-diidyl]propanoic acid methyl ester IUPAC Name: zinc methyl 3-[5-(4-ethynylphenyl)-8,12,18-tris(3-methoxy-3-oxopropyl)-3,7,13,17-tetramethyl-15-phenylporphyrin-21,22-diid-2-yl]propanoate Traditional Name: zinc 3-[5-(4-ethynylphenyl)-8,12,18-tris(3-keto-3-methoxy-propyl)-3,7,13,17-tetramethyl-15-phenyl-porphine-21,22-diid-2-yl]propionic acid methyl ester Formula: C54H52N4O8Zn MolecularWeight: 950.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C([N-]5)C(=C1[N-]2)C6=CC=C(C=C6)C#C)C)CCC(=O)OC)C(=C4C)CCC(=O)OC)C7=CC=CC=C7)C(=C3CCC(=O)OC)C)CCC(=O)OC.[Zn+2]

Isomeric SMILES

CC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C([N-]5)C(=C1[N-]2)C6=CC=C(C=C6)C#C)C)CCC(=O)OC)C(=C4C)CCC(=O)OC)C7=CC=CC=C7)C(=C3CCC(=O)OC)C)CCC(=O)OC.[Zn+2]

InChI

InChI=1S/C54H52N4O8.Zn/c1-10-34-16-18-36(19-17-34)50-53-32(4)39(22-26-47(61)65-8)43(57-53)28-41-37(20-24-45(59)63-6)30(2)51(55-41)49(35-14-12-11-13-15-35)52-31(3)38(21-25-46(60)64-7)42(56-52)29-44-40(23-27-48(62)66-9)33(5)54(50)58-44;/h1,11-19,28-29H,20-27H2,2-9H3;/q-2;+2