zinc 2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-porphyrin-21,22-diide

Systemtic Name: zinc 2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-porphyrin-21,22-diide Openeye Name: zinc 2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-porphyrin-21,22-diide CAS Name: zinc 2,3,7,8,12,13,17,18-octaethyl-5,10-diphenylporphyrin-21,22-diide IUPAC Name: zinc 2,3,7,8,12,13,17,18-octaethyl-5,10-diphenylporphyrin-21,22-diide Traditional Name: zinc 2,3,7,8,12,13,17,18-octaethyl-5,10-diphenyl-porphine-21,22-diide Formula: C48H52N4Zn MolecularWeight: 750.36228

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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)C6=CC=CC=C6)CC)CC)C7=CC=CC=C7)CC.[Zn+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)C6=CC=CC=C6)CC)CC)C7=CC=CC=C7)CC.[Zn+2]

InChI

InChI=1S/C48H52N4.Zn/c1-9-31-32(10-2)40-28-42-34(12-4)36(14-6)46(51-42)44(30-25-21-18-22-26-30)48-38(16-8)37(15-7)47(52-48)43(29-23-19-17-20-24-29)45-35(13-5)33(11-3)41(50-45)27-39(31)49-40;/h17-28H,9-16H2,1-8H3;/q-2;+2