ethyl 2-[7-(2-ethoxycarbonylcyclopropyl)-13,17-bis(3-methoxy-3-oxidanylidene-propyl)-3,8,12,18-tetramethyl-porphyrin-22,24-diid-2-yl]cyclopropane-1-carboxylate; nickel(2+)

Systemtic Name: ethyl 2-[7-(2-ethoxycarbonylcyclopropyl)-13,17-bis(3-methoxy-3-oxidanylidene-propyl)-3,8,12,18-tetramethyl-porphyrin-22,24-diid-2-yl]cyclopropane-1-carboxylate; nickel(2+) Openeye Name: nickelous ethyl 2-[7-(2-ethoxycarbonylcyclopropyl)-13,17-bis(3-methoxy-3-oxo-propyl)-3,8,12,18-tetramethyl-porphyrin-22,24-diid-2-yl]cyclopropanecarboxylate CAS Name: 2-[7-(2-ethoxycarbonylcyclopropyl)-13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethyl-2-porphyrin-22,24-diidyl]-1-cyclopropanecarboxylic acid ethyl ester; nickel(2+) IUPAC Name: ethyl 2-[7-(2-ethoxycarbonylcyclopropyl)-13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]cyclopropane-1-carboxylate; nickel(2+) Traditional Name: nickelous 2-[7-(2-carbethoxycyclopropyl)-13,17-bis(3-keto-3-methoxy-propyl)-3,8,12,18-tetramethyl-porphine-22,24-diid-2-yl]cyclopropanecarboxylic acid ethyl ester Formula: C44H48N4NiO8 MolecularWeight: 819.56732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1C2=C(C3=CC4=NC(=CC5=C(C(=C([N-]5)C=C6C(=C(C(=N6)C=C2[N-]3)C)C7CC7C(=O)OCC)C)CCC(=O)OC)C(=C4C)CCC(=O)OC)C.[Ni+2]

Isomeric SMILES

CCOC(=O)C1CC1C2=C(C3=CC4=NC(=CC5=C(C(=C([N-]5)C=C6C(=C(C(=N6)C=C2[N-]3)C)C7CC7C(=O)OCC)C)CCC(=O)OC)C(=C4C)CCC(=O)OC)C.[Ni+2]

InChI

InChI=1S/C44H48N4O8.Ni/c1-9-55-43(51)29-15-27(29)41-23(5)33-17-31-21(3)25(11-13-39(49)53-7)35(45-31)20-36-26(12-14-40(50)54-8)22(4)32(46-36)18-37-42(28-16-30(28)44(52)56-10-2)24(6)34(48-37)19-38(41)47-33;/h17-20,27-30H,9-16H2,1-8H3;/q-2;+2