zinc methyl 3-[7-[(E)-2-(9,10-dihydrophenanthren-9-yl)ethenyl]-12-ethenyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoate

Systemtic Name: zinc methyl 3-[7-[(E)-2-(9,10-dihydrophenanthren-9-yl)ethenyl]-12-ethenyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoate Openeye Name: zinc methyl 3-[7-[(E)-2-(9,10-dihydrophenanthren-9-yl)vinyl]-18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-12-vinyl-porphyrin-21,23-diid-2-yl]propanoate CAS Name: zinc 3-[7-[(E)-2-(9,10-dihydrophenanthren-9-yl)ethenyl]-12-ethenyl-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-[(E)-2-(9,10-dihydrophenanthren-9-yl)ethenyl]-12-ethenyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate Traditional Name: zinc 3-[7-[(E)-2-(9,10-dihydrophenanthren-9-yl)vinyl]-18-(3-keto-3-methoxy-propyl)-3,8,13,17-tetramethyl-12-vinyl-porphine-21,23-diid-2-yl]propionic acid methyl ester Formula: C50H46N4O4Zn MolecularWeight: 832.33364

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)CCC(=O)OC)CCC(=O)OC)C)C(=C3C)C=CC6CC7=CC=CC=C7C8=CC=CC=C68)C=C.[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)CCC(=O)OC)CCC(=O)OC)C)C(=C3C)/C=C/C6CC7=CC=CC=C7C8=CC=CC=C68)C=C.[Zn+2]

InChI

InChI=1S/C50H46N4O4.Zn/c1-8-34-28(2)41-24-42-30(4)36(19-21-49(55)57-6)47(52-42)27-48-37(20-22-50(56)58-7)31(5)44(54-48)26-46-35(29(3)43(53-46)25-45(34)51-41)18-17-33-23-32-13-9-10-14-38(32)40-16-12-11-15-39(33)40;/h8-18,24-27,33H,1,19-23H2,2-7H3;/q-2;+2/b18-17+,41-24?,42-24?,43-25?,44-26?,45-25?,46-26?,47-27?,48-27?;