icosyl 4-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]benzoate

Systemtic Name: icosyl 4-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]benzoate Openeye Name: icosyl 4-[10,15,20-tris(p-tolyl)-21,22-dihydroporphyrin-5-yl]benzoate CAS Name: 4-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]benzoic acid eicosyl ester IUPAC Name: icosyl 4-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]benzoate Traditional Name: 4-[10,15,20-tris(p-tolyl)-21,22-dihydroporphin-5-yl]benzoic acid arachyl ester Formula: C68H76N4O2 MolecularWeight: 981.35664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)C)C=C5)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C)N3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)C)C=C5)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C)N3

InChI

InChI=1S/C68H76N4O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-47-74-68(73)55-37-35-54(36-38-55)67-62-45-43-60(71-62)65(52-31-25-49(3)26-32-52)58-41-39-56(69-58)64(51-29-23-48(2)24-30-51)57-40-42-59(70-57)66(61-44-46-63(67)72-61)53-33-27-50(4)28-34-53/h23-46,71-72H,5-22,47H2,1-4H3