methyl 2-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]benzoate

Systemtic Name: methyl 2-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]benzoate Openeye Name: methyl 2-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]benzoate CAS Name: 2-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]benzoate Traditional Name: 2-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphin-5-yl]benzoic acid methyl ester Formula: C58H56N4O2 MolecularWeight: 841.09084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7C(=O)OC)C8=CC=C(C=C8)C(C)(C)C)C9=CC=C(C=C9)C(C)(C)C)N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7C(=O)OC)C8=CC=C(C=C8)C(C)(C)C)C9=CC=C(C=C9)C(C)(C)C)N3

InChI

InChI=1S/C58H56N4O2/c1-56(2,3)38-21-15-35(16-22-38)51-43-27-29-45(59-43)52(36-17-23-39(24-18-36)57(4,5)6)47-31-33-49(61-47)54(41-13-11-12-14-42(41)55(63)64-10)50-34-32-48(62-50)53(46-30-28-44(51)60-46)37-19-25-40(26-20-37)58(7,8)9/h11-34,59-60H,1-10H3