2,17,18,20-tetrakis(3-butoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 2,17,18,20-tetrakis(3-butoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 2,17,18,20-tetrakis(3-butoxyphenyl)-21,22-dihydroporphyrin CAS Name: 2,17,18,20-tetrakis(3-butoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 2,17,18,20-tetrakis(3-butoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 2,17,18,20-tetrakis(3-butoxyphenyl)-21,22-dihydroporphine Formula: C60H62N4O4 MolecularWeight: 903.15868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC(=CC=C7)OCCCC)C8=CC(=CC=C8)OCCCC)C9=CC(=CC=C9)OCCCC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC(=CC=C7)OCCCC)C8=CC(=CC=C8)OCCCC)C9=CC(=CC=C9)OCCCC

InChI

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