butyl 4-[10,15,20-tris(4-butoxycarbonylphenyl)-21,24-dihydroporphyrin-5-yl]benzoate

Systemtic Name: butyl 4-[10,15,20-tris(4-butoxycarbonylphenyl)-21,24-dihydroporphyrin-5-yl]benzoate Openeye Name: butyl 4-[10,15,20-tris(4-butoxycarbonylphenyl)-21,24-dihydroporphyrin-5-yl]benzoate CAS Name: 4-[10,15,20-tris[4-[butoxy(oxo)methyl]phenyl]-21,24-dihydroporphyrin-5-yl]benzoic acid butyl ester IUPAC Name: butyl 4-[10,15,20-tris(4-butoxycarbonylphenyl)-21,24-dihydroporphyrin-5-yl]benzoate Traditional Name: 4-[10,15,20-tris(4-butoxycarbonylphenyl)-21,24-dihydroporphin-5-yl]benzoic acid butyl ester Formula: C64H62N4O8 MolecularWeight: 1015.19908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C64H62N4O8/c1-5-9-37-73-61(69)45-21-13-41(14-22-45)57-49-29-31-51(65-49)58(42-15-23-46(24-16-42)62(70)74-38-10-6-2)53-33-35-55(67-53)60(44-19-27-48(28-20-44)64(72)76-40-12-8-4)56-36-34-54(68-56)59(52-32-30-50(57)66-52)43-17-25-47(26-18-43)63(71)75-39-11-7-3/h13-36,65-66H,5-12,37-40H2,1-4H3