magnesium; 2,3,7,8,12,13,17,18-octaethylporphyrin

Systemtic Name: magnesium; 2,3,7,8,12,13,17,18-octaethylporphyrin Openeye Name: magnesium; 2,3,7,8,12,13,17,18-octaethylporphyrin CAS Name: magnesium; 2,3,7,8,12,13,17,18-octaethylporphyrin IUPAC Name: magnesium; 2,3,7,8,12,13,17,18-octaethylporphyrin Traditional Name: magnesium; 2,3,7,8,12,13,17,18-octaethylporphine Formula: C36H44MgN4 MolecularWeight: 557.06636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC1=CC3=C(C(=C([N]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=C2)[N]5)CC)CC)CC)CC)CC)CC)CC.[Mg]

Isomeric SMILES

CCC1=C(C2=NC1=CC3=C(C(=C([N]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=C2)[N]5)CC)CC)CC)CC)CC)CC)CC.[Mg]

InChI

InChI=1S/C36H44N4.Mg/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;