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

Systemtic Name: zinc methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-8,13-bis(oxiran-2-yl)porphyrin-21,24-diid-2-yl]propanoate Openeye Name: zinc methyl 3-[18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-8,13-bis(oxiran-2-yl)porphyrin-21,24-diid-2-yl]propanoate CAS Name: zinc 3-[18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-8,13-bis(2-oxiranyl)-2-porphyrin-21,24-diidyl]propanoic acid methyl ester IUPAC Name: zinc methyl 3-[18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-8,13-bis(oxiran-2-yl)porphyrin-21,24-diid-2-yl]propanoate Traditional Name: zinc 3-[18-(3-keto-3-methoxy-propyl)-3,7,12,17-tetramethyl-8,13-bis(oxiran-2-yl)porphine-21,24-diid-2-yl]propionic acid methyl ester Formula: C36H36N4O6Zn MolecularWeight: 686.10324

Click to see the large picture

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)C6CO6)C)C7CO7)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)C6CO6)C)C7CO7)C)C)CCC(=O)OC)CCC(=O)OC.[Zn+2]

InChI

InChI=1S/C36H36N4O6.Zn/c1-17-21(7-9-33(41)43-5)27-14-28-22(8-10-34(42)44-6)18(2)24(38-28)12-29-36(32-16-46-32)20(4)26(40-29)13-30-35(31-15-45-31)19(3)25(39-30)11-23(17)37-27;/h11-14,31-32H,7-10,15-16H2,1-6H3;/q-2;+2