5,10,15,20-tetrakis(4-butoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(4-butoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(4-butoxyphenyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(4-butoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(4-butoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(4-butoxyphenyl)-21,22-dihydroporphine Formula: C60H62N4O4 MolecularWeight: 903.15868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=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)OCCCC)C8=CC=C(C=C8)OCCCC)C9=CC=C(C=C9)OCCCC)N3

Isomeric SMILES

CCCCOC1=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)OCCCC)C8=CC=C(C=C8)OCCCC)C9=CC=C(C=C9)OCCCC)N3

InChI

InChI=1S/C60H62N4O4/c1-5-9-37-65-45-21-13-41(14-22-45)57-49-29-31-51(61-49)58(42-15-23-46(24-16-42)66-38-10-6-2)53-33-35-55(63-53)60(44-19-27-48(28-20-44)68-40-12-8-4)56-36-34-54(64-56)59(52-32-30-50(57)62-52)43-17-25-47(26-18-43)67-39-11-7-3/h13-36,61-62H,5-12,37-40H2,1-4H3