5,10,15,20-tetrakis(4-prop-2-ynoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(4-prop-2-ynoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(4-prop-2-ynoxyphenyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(4-prop-2-ynoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(4-prop-2-ynoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(4-propargyloxyphenyl)-21,22-dihydroporphine Formula: C56H38N4O4 MolecularWeight: 830.92532

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=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)OCC#C)C8=CC=C(C=C8)OCC#C)C9=CC=C(C=C9)OCC#C)N3

Isomeric SMILES

C#CCOC1=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)OCC#C)C8=CC=C(C=C8)OCC#C)C9=CC=C(C=C9)OCC#C)N3

InChI

InChI=1S/C56H38N4O4/c1-5-33-61-41-17-9-37(10-18-41)53-45-25-27-47(57-45)54(38-11-19-42(20-12-38)62-34-6-2)49-29-31-51(59-49)56(40-15-23-44(24-16-40)64-36-8-4)52-32-30-50(60-52)55(48-28-26-46(53)58-48)39-13-21-43(22-14-39)63-35-7-3/h1-4,9-32,57-58H,33-36H2