methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate; nickel(2+)

Systemtic Name: methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate; nickel(2+) Openeye Name: nickelous methyl 3-[18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate CAS Name: 3-[18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-2-porphyrin-21,24-diidyl]propanoic acid methyl ester; nickel(2+) IUPAC Name: methyl 3-[18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate; nickel(2+) Traditional Name: nickelous 3-[18-(3-keto-3-methoxy-propyl)-3,7,12,17-tetramethyl-porphine-21,24-diid-2-yl]propionic acid methyl ester Formula: C32H32N4NiO4 MolecularWeight: 595.31428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC1=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=C2)[N-]5)C)CCC(=O)OC)CCC(=O)OC)C)C(=C3)C.[Ni+2]

Isomeric SMILES

CC1=CC2=NC1=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=C2)[N-]5)C)CCC(=O)OC)CCC(=O)OC)C)C(=C3)C.[Ni+2]

InChI

InChI=1S/C32H32N4O4.Ni/c1-17-11-22-14-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22;/h11-16H,7-10H2,1-6H3;/q-2;+2