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

Systemtic Name: ethyl 4-[10,15,20-tris(4-ethoxycarbonylphenyl)-21,24-dihydroporphyrin-5-yl]benzoate Openeye Name: ethyl 4-[10,15,20-tris(4-ethoxycarbonylphenyl)-21,24-dihydroporphyrin-5-yl]benzoate CAS Name: 4-[10,15,20-tris(4-ethoxycarbonylphenyl)-21,24-dihydroporphyrin-5-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[10,15,20-tris(4-ethoxycarbonylphenyl)-21,24-dihydroporphyrin-5-yl]benzoate Traditional Name: 4-[10,15,20-tris(4-carbethoxyphenyl)-21,24-dihydroporphin-5-yl]benzoic acid ethyl ester Formula: C56H46N4O8 MolecularWeight: 902.98644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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)OCC)C8=CC=C(C=C8)C(=O)OCC)C9=CC=C(C=C9)C(=O)OCC)N3

Isomeric SMILES

CCOC(=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)OCC)C8=CC=C(C=C8)C(=O)OCC)C9=CC=C(C=C9)C(=O)OCC)N3

InChI

InChI=1S/C56H46N4O8/c1-5-65-53(61)37-17-9-33(10-18-37)49-41-25-27-43(57-41)50(34-11-19-38(20-12-34)54(62)66-6-2)45-29-31-47(59-45)52(36-15-23-40(24-16-36)56(64)68-8-4)48-32-30-46(60-48)51(44-28-26-42(49)58-44)35-13-21-39(22-14-35)55(63)67-7-3/h9-32,57-58H,5-8H2,1-4H3