zinc methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-8,13-bis[(E)-2-phenylethenyl]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[(E)-2-phenylethenyl]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[(E)-styryl]porphyrin-21,24-diid-2-yl]propanoate CAS Name: zinc 3-[18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-8,13-bis[(E)-2-phenylethenyl]-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[(E)-2-phenylethenyl]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[(E)-styryl]porphine-21,24-diid-2-yl]propionic acid methyl ester Formula: C48H44N4O4Zn MolecularWeight: 806.29636

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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=CC6=CC=CC=C6)C)C=CC7=CC=CC=C7)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)/C=C/C6=CC=CC=C6)C)/C=C/C7=CC=CC=C7)C)C)CCC(=O)OC)CCC(=O)OC.[Zn+2]

InChI

InChI=1S/C48H44N4O4.Zn/c1-29-35(19-17-33-13-9-7-10-14-33)43-26-41-30(2)36(20-18-34-15-11-8-12-16-34)44(51-41)27-42-32(4)38(22-24-48(54)56-6)46(52-42)28-45-37(21-23-47(53)55-5)31(3)40(50-45)25-39(29)49-43;/h7-20,25-28H,21-24H2,1-6H3;/q-2;+2/b19-17+,20-18+,39-25?,40-25?,41-26?,42-27?,43-26?,44-27?,45-28?,46-28?;