ethyl 5-[(1Z,10Z)-15-butyl-2,3,7,8,12,13,17,18-octaethyl-5,15-dihydroporphyrin-22,24-diid-5-yl]pentanoate; nickel(2+)

Systemtic Name: ethyl 5-[(1Z,10Z)-15-butyl-2,3,7,8,12,13,17,18-octaethyl-5,15-dihydroporphyrin-22,24-diid-5-yl]pentanoate; nickel(2+) Openeye Name: nickelous ethyl 5-[(1Z,10Z)-15-butyl-2,3,7,8,12,13,17,18-octaethyl-5,15-dihydroporphyrin-22,24-diid-5-yl]pentanoate CAS Name: 5-[(1Z,10Z)-15-butyl-2,3,7,8,12,13,17,18-octaethyl-5,15-dihydroporphyrin-22,24-diid-5-yl]pentanoic acid ethyl ester; nickel(2+) IUPAC Name: ethyl 5-[(1Z,10Z)-15-butyl-2,3,7,8,12,13,17,18-octaethyl-5,15-dihydroporphyrin-22,24-diid-5-yl]pentanoate; nickel(2+) Traditional Name: nickelous 5-[(1Z,10Z)-15-butyl-2,3,7,8,12,13,17,18-octaethyl-5,15-dihydroporphine-22,24-diid-5-yl]valeric acid ethyl ester Formula: C47H66N4NiO2 MolecularWeight: 777.74594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(C(=C([N-]2)C=C3C(=C(C(=N3)C(C4=C(C(=C([N-]4)C=C5C(=C(C1=N5)CC)CC)CC)CC)CCCCC(=O)OCC)CC)CC)CC)CC.[Ni+2]

Isomeric SMILES

CCCCC1C2=C(C(=C([N-]2)/C=C\3/C(=C(C(=N3)C(C4=C(C(=C([N-]4)/C=C\5/C(=C(C1=N5)CC)CC)CC)CC)CCCCC(=O)OCC)CC)CC)CC)CC.[Ni+2]

InChI

InChI=1S/C47H66N4O2.Ni/c1-11-21-24-37-44-33(16-6)29(12-2)39(48-44)27-41-31(14-4)35(18-8)46(50-41)38(25-22-23-26-43(52)53-20-10)47-36(19-9)32(15-5)42(51-47)28-40-30(13-3)34(17-7)45(37)49-40;/h27-28,37-38H,11-26H2,1-10H3;/q-2;+2