zinc methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-8,13-bis(1-oxidanylidenepropan-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(1-oxidanylidenepropan-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(1-methyl-2-oxo-ethyl)porphyrin-21,24-diid-2-yl]propanoate CAS Name: zinc 3-[18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-8,13-bis(1-oxopropan-2-yl)-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(1-oxopropan-2-yl)porphyrin-21,24-diid-2-yl]propanoate Traditional Name: zinc 3-[18-(3-keto-3-methoxy-propyl)-8,13-bis(2-keto-1-methyl-ethyl)-3,7,12,17-tetramethyl-porphine-21,24-diid-2-yl]propionic acid methyl ester Formula: C38H40N4O6Zn MolecularWeight: 714.1564

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

InChI

InChI=1S/C38H40N4O6.Zn/c1-19(17-43)37-23(5)29-13-27-21(3)25(9-11-35(45)47-7)31(39-27)16-32-26(10-12-36(46)48-8)22(4)28(40-32)14-33-38(20(2)18-44)24(6)30(42-33)15-34(37)41-29;/h13-20H,9-12H2,1-8H3;/q-2;+2