4-[10,15,20-tris(4-tert-butylphenyl)-21,22-dihydroporphyrin-5-yl]benzoic acid

Systemtic Name: 4-[10,15,20-tris(4-tert-butylphenyl)-21,22-dihydroporphyrin-5-yl]benzoic acid Openeye Name: 4-[10,15,20-tris(4-tert-butylphenyl)-21,22-dihydroporphyrin-5-yl]benzoic acid CAS Name: 4-[10,15,20-tris(4-tert-butylphenyl)-21,22-dihydroporphyrin-5-yl]benzoic acid IUPAC Name: 4-[10,15,20-tris(4-tert-butylphenyl)-21,22-dihydroporphyrin-5-yl]benzoic acid Traditional Name: 4-[10,15,20-tris(4-tert-butylphenyl)-21,22-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=C(C=C7)C(C)(C)C)C8=CC=C(C=C8)C(C)(C)C)C9=CC=C(C=C9)C(=O)O)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=C(C=C7)C(C)(C)C)C8=CC=C(C=C8)C(C)(C)C)C9=CC=C(C=C9)C(=O)O)N3

InChI

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