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copper 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide

copper 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide

Systemtic Name:copper 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide
Openeye Name:copper 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide
CAS Name:copper 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide
IUPAC Name:copper 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide
Traditional Name:cupric 2,3,7,8,12,13,17,18-octaethylporphine-21,22-diide
Formula: C36H44CuN4
MolecularWeight: 596.30736
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)CC)CC)C(=C4CC)CC)C(=C3CC)CC)CC.[Cu+2]


Isomeric SMILES

CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)CC)CC)C(=C4CC)CC)C(=C3CC)CC)CC.[Cu+2]


InChI

InChI=1S/C36H44N4.Cu/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2


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