zinc methyl 3-[5,15-bis(4-ethynylphenyl)-8,12,18-tris(3-methoxy-3-oxidanylidene-propyl)-3,7,13,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate

Systemtic Name: zinc methyl 3-[5,15-bis(4-ethynylphenyl)-8,12,18-tris(3-methoxy-3-oxidanylidene-propyl)-3,7,13,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate Openeye Name: zinc methyl 3-[5,15-bis(4-ethynylphenyl)-8,12,18-tris(3-methoxy-3-oxo-propyl)-3,7,13,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate CAS Name: zinc 3-[5,15-bis(4-ethynylphenyl)-8,12,18-tris(3-methoxy-3-oxopropyl)-3,7,13,17-tetramethyl-2-porphyrin-21,24-diidyl]propanoic acid methyl ester IUPAC Name: zinc methyl 3-[5,15-bis(4-ethynylphenyl)-8,12,18-tris(3-methoxy-3-oxopropyl)-3,7,13,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate Traditional Name: zinc 3-[5,15-bis(4-ethynylphenyl)-8,12,18-tris(3-keto-3-methoxy-propyl)-3,7,13,17-tetramethyl-porphine-21,24-diid-2-yl]propionic acid methyl ester Formula: C56H52N4O8Zn MolecularWeight: 974.44308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=C(C(=C([N-]3)C(=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C(=C1[N-]2)C6=CC=C(C=C6)C#C)C)CCC(=O)OC)CCC(=O)OC)C)C7=CC=C(C=C7)C#C)C)CCC(=O)OC)CCC(=O)OC.[Zn+2]

Isomeric SMILES

CC1=C(C2=CC3=C(C(=C([N-]3)C(=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C(=C1[N-]2)C6=CC=C(C=C6)C#C)C)CCC(=O)OC)CCC(=O)OC)C)C7=CC=C(C=C7)C#C)C)CCC(=O)OC)CCC(=O)OC.[Zn+2]

InChI

InChI=1S/C56H52N4O8.Zn/c1-11-35-13-17-37(18-14-35)51-53-31(3)39(21-25-47(61)65-7)43(57-53)29-45-41(23-27-49(63)67-9)33(5)55(59-45)52(38-19-15-36(12-2)16-20-38)56-34(6)42(24-28-50(64)68-10)46(60-56)30-44-40(22-26-48(62)66-8)32(4)54(51)58-44;/h1-2,13-20,29-30H,21-28H2,3-10H3;/q-2;+2