zinc N-[4-(10,20-diphenylporphyrin-22,24-diid-5-yl)sulfanylphenyl]ethanamide

Systemtic Name: zinc N-[4-(10,20-diphenylporphyrin-22,24-diid-5-yl)sulfanylphenyl]ethanamide Openeye Name: zinc N-[4-(10,20-diphenylporphyrin-22,24-diid-5-yl)sulfanylphenyl]acetamide CAS Name: zinc N-[4-[(10,20-diphenyl-5-porphyrin-22,24-diidyl)thio]phenyl]acetamide IUPAC Name: zinc N-[4-(10,20-diphenylporphyrin-22,24-diid-5-yl)sulfanylphenyl]acetamide Traditional Name: zinc N-[4-[(10,20-diphenylporphine-22,24-diid-5-yl)thio]phenyl]acetamide Formula: C40H27N5OSZn MolecularWeight: 691.14928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SC2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)[N-]4)C8=CC=CC=C8.[Zn+2]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)[N-]4)C8=CC=CC=C8.[Zn+2]

InChI

InChI=1S/C40H28N5OS.Zn/c1-25(46)41-28-12-16-31(17-13-28)47-40-36-22-20-34(44-36)38(26-8-4-2-5-9-26)32-18-14-29(42-32)24-30-15-19-33(43-30)39(27-10-6-3-7-11-27)35-21-23-37(40)45-35;/h2-24H,1H3,(H2-,41,42,43,44,45,46);/q-1;+2/p-1