methyl 3-[7-ethenyl-12-methanoyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoate; nickel(2+)

Systemtic Name: methyl 3-[7-ethenyl-12-methanoyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoate; nickel(2+) Openeye Name: nickelous methyl 3-[12-formyl-18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-7-vinyl-porphyrin-21,23-diid-2-yl]propanoate CAS Name: 3-[7-ethenyl-12-formyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-2-porphyrin-21,23-diidyl]propanoic acid methyl ester; nickel(2+) IUPAC Name: methyl 3-[7-ethenyl-12-formyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate; nickel(2+) Traditional Name: nickelous 3-[12-formyl-18-(3-keto-3-methoxy-propyl)-3,8,13,17-tetramethyl-7-vinyl-porphine-21,23-diid-2-yl]propionic acid methyl ester Formula: C35H34N4NiO5 MolecularWeight: 649.36166

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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=C)C=O.[Ni+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)C=O.[Ni+2]

InChI

InChI=1S/C35H35N4O5.Ni/c1-8-22-18(2)28-15-33-25(17-40)21(5)27(39-33)13-26-19(3)23(9-11-34(41)43-6)31(37-26)16-32-24(10-12-35(42)44-7)20(4)29(38-32)14-30(22)36-28;/h8,13-17H,1,9-12H2,2-7H3,(H-,36,37,38,39,40);/q-1;+2/p-1