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

Systemtic Name: zinc methyl 3-[13-bromanyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate Openeye Name: zinc methyl 3-[13-bromo-18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate CAS Name: zinc 3-[13-bromo-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-2-porphyrin-21,24-diidyl]propanoic acid methyl ester IUPAC Name: zinc methyl 3-[13-bromo-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate Traditional Name: zinc 3-[13-bromo-18-(3-keto-3-methoxy-propyl)-3,7,12,17-tetramethyl-porphine-21,24-diid-2-yl]propionic acid methyl ester Formula: C32H31BrN4O4Zn MolecularWeight: 680.92594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=CC1=N2)[N-]5)C)CCC(=O)OC)CCC(=O)OC)C)C(=C3C)Br.[Zn+2]

Isomeric SMILES

CC1=CC2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=CC1=N2)[N-]5)C)CCC(=O)OC)CCC(=O)OC)C)C(=C3C)Br.[Zn+2]

InChI

InChI=1S/C32H31BrN4O4.Zn/c1-16-11-20-12-24-19(4)32(33)29(37-24)14-26-18(3)22(8-10-31(39)41-6)28(36-26)15-27-21(7-9-30(38)40-5)17(2)25(35-27)13-23(16)34-20;/h11-15H,7-10H2,1-6H3;/q-2;+2