nickel(2+); 2,2,2-tris(fluoranyl)-1-(2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diid-5-yl)ethanol

Systemtic Name: nickel(2+); 2,2,2-tris(fluoranyl)-1-(2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diid-5-yl)ethanol Openeye Name: nickelous 2,2,2-trifluoro-1-(2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diid-5-yl)ethanol CAS Name: nickel(2+); 2,2,2-trifluoro-1-(2,3,7,8,12,13,17,18-octaethyl-5-porphyrin-21,22-diidyl)ethanol IUPAC Name: nickel(2+); 2,2,2-trifluoro-1-(2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diid-5-yl)ethanol Traditional Name: nickelous 2,2,2-trifluoro-1-(2,3,7,8,12,13,17,18-octaethylporphine-21,22-diid-5-yl)ethanol Formula: C38H45F3N4NiO MolecularWeight: 689.47871

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)CC)CC)C(C(F)(F)F)O)CC.[Ni+2]

Isomeric SMILES

CCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)CC)CC)C(C(F)(F)F)O)CC.[Ni+2]

InChI

InChI=1S/C38H45F3N4O.Ni/c1-9-20-22(11-3)30-18-32-24(13-5)26(15-7)35(44-32)34(37(46)38(39,40)41)36-27(16-8)25(14-6)33(45-36)19-31-23(12-4)21(10-2)29(43-31)17-28(20)42-30;/h17-19,37,46H,9-16H2,1-8H3;/q-2;+2