2,3,7,8,12,13,17,18-octaethyl-21H-porphyrin-22-ide; platinum

Systemtic Name: 2,3,7,8,12,13,17,18-octaethyl-21H-porphyrin-22-ide; platinum Openeye Name: 2,3,7,8,12,13,17,18-octaethyl-21H-porphyrin-22-ide; platinum CAS Name: 2,3,7,8,12,13,17,18-octaethyl-21H-porphyrin-22-ide; platinum IUPAC Name: 2,3,7,8,12,13,17,18-octaethyl-21H-porphyrin-22-ide; platinum Traditional Name: 2,3,7,8,12,13,17,18-octaethyl-21H-porphin-22-ide; platinum Formula: C36H45N4Pt- MolecularWeight: 728.8473

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1[N-]2)CC)CC)C(=C4CC)CC)C(=C3CC)CC)CC.[Pt]

Isomeric SMILES

CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1[N-]2)CC)CC)C(=C4CC)CC)C(=C3CC)CC)CC.[Pt]

InChI

InChI=1S/C36H45N4.Pt/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;/h17-20,37H,9-16H2,1-8H3;/q-1;