copper methyl 3-[8,13-bis(dodec-1-ynyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate

Systemtic Name: copper methyl 3-[8,13-bis(dodec-1-ynyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate Openeye Name: copper methyl 3-[8,13-bis(dodec-1-ynyl)-18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate CAS Name: copper 3-[8,13-bis(dodec-1-ynyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-2-porphyrin-21,24-diidyl]propanoic acid methyl ester IUPAC Name: copper methyl 3-[8,13-bis(dodec-1-ynyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate Traditional Name: cupric 3-[8,13-bis(dodec-1-ynyl)-18-(3-keto-3-methoxy-propyl)-3,7,12,17-tetramethyl-porphine-21,24-diid-2-yl]propionic acid methyl ester Formula: C56H72CuN4O4 MolecularWeight: 928.74128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=CC1=N2)[N-]5)C)CCC(=O)OC)CCC(=O)OC)C)C(=C3C#CCCCCCCCCCC)C)C.[Cu+2]

Isomeric SMILES

CCCCCCCCCCC#CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=CC1=N2)[N-]5)C)CCC(=O)OC)CCC(=O)OC)C)C(=C3C#CCCCCCCCCCC)C)C.[Cu+2]

InChI

InChI=1S/C56H72N4O4.Cu/c1-9-11-13-15-17-19-21-23-25-27-29-43-39(3)47-35-48-41(5)45(31-33-55(61)63-7)53(58-48)38-54-46(32-34-56(62)64-8)42(6)50(60-54)37-52-44(40(4)49(59-52)36-51(43)57-47)30-28-26-24-22-20-18-16-14-12-10-2;/h35-38H,9-26,31-34H2,1-8H3;/q-2;+2