zinc methyl 3-[7,12-bis(3-ethanoyl-4-oxidanylidene-pentan-2-yl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoate

Systemtic Name: zinc methyl 3-[7,12-bis(3-ethanoyl-4-oxidanylidene-pentan-2-yl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoate Openeye Name: zinc methyl 3-[7,12-bis(2-acetyl-1-methyl-3-oxo-butyl)-18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoate CAS Name: zinc 3-[7,12-bis(3-acetyl-4-oxopentan-2-yl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-2-porphyrin-21,23-diidyl]propanoic acid methyl ester IUPAC Name: zinc methyl 3-[7,12-bis(3-acetyl-4-oxopentan-2-yl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate Traditional Name: zinc 3-[7,12-bis(2-acetyl-3-keto-1-methyl-butyl)-18-(3-keto-3-methoxy-propyl)-3,8,13,17-tetramethyl-porphine-21,23-diid-2-yl]propionic acid methyl ester Formula: C46H52N4O8Zn MolecularWeight: 854.33608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C(C)C(C(=O)C)C(=O)C)C)C(C)C(C(=O)C)C(=O)C)C)C(=C3CCC(=O)OC)C)CCC(=O)OC.[Zn+2]

Isomeric SMILES

CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C(C)C(C(=O)C)C(=O)C)C)C(C)C(C(=O)C)C(=O)C)C)C(=C3CCC(=O)OC)C)CCC(=O)OC.[Zn+2]

InChI

InChI=1S/C46H52N4O8.Zn/c1-21-31(13-15-41(55)57-11)37-20-38-32(14-16-42(56)58-12)22(2)34(48-38)18-39-44(26(6)46(29(9)53)30(10)54)24(4)36(50-39)19-40-43(25(5)45(27(7)51)28(8)52)23(3)35(49-40)17-33(21)47-37;/h17-20,25-26,45-46H,13-16H2,1-12H3;/q-2;+2