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

Systemtic Name: 2-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]benzoic acid Openeye Name: 2-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]benzoic acid CAS Name: 2-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]benzoic acid IUPAC Name: 2-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphyrin-5-yl]benzoic acid Traditional Name: 2-[10,15,20-tris(4-tert-butylphenyl)-23,24-dihydroporphin-5-yl]benzoic acid Formula: C57H54N4O2 MolecularWeight: 827.06426

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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)O)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)O)C8=CC=C(C=C8)C(C)(C)C)C9=CC=C(C=C9)C(C)(C)C)N3

InChI

InChI=1S/C57H54N4O2/c1-55(2,3)37-20-14-34(15-21-37)50-42-26-28-44(58-42)51(35-16-22-38(23-17-35)56(4,5)6)46-30-32-48(60-46)53(40-12-10-11-13-41(40)54(62)63)49-33-31-47(61-49)52(45-29-27-43(50)59-45)36-18-24-39(25-19-36)57(7,8)9/h10-33,58-59H,1-9H3,(H,62,63)