4-[20-(4-methanoylphenyl)-10,15-di(undecyl)-21,24-dihydroporphyrin-5-yl]benzaldehyde

Systemtic Name: 4-[20-(4-methanoylphenyl)-10,15-di(undecyl)-21,24-dihydroporphyrin-5-yl]benzaldehyde Openeye Name: 4-[20-(4-formylphenyl)-10,15-di(undecyl)-21,24-dihydroporphyrin-5-yl]benzaldehyde CAS Name: 4-[20-(4-formylphenyl)-10,15-di(undecyl)-21,24-dihydroporphyrin-5-yl]benzaldehyde IUPAC Name: 4-[20-(4-formylphenyl)-10,15-di(undecyl)-21,24-dihydroporphyrin-5-yl]benzaldehyde Traditional Name: 4-[20-(4-formylphenyl)-10,15-di(undecyl)-21,24-dihydroporphin-5-yl]benzaldehyde Formula: C56H66N4O2 MolecularWeight: 827.14884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)CCCCCCCCCCC)C6=CC=C(C=C6)C=O)N3)C7=CC=C(C=C7)C=O

Isomeric SMILES

CCCCCCCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)CCCCCCCCCCC)C6=CC=C(C=C6)C=O)N3)C7=CC=C(C=C7)C=O

InChI

InChI=1S/C56H66N4O2/c1-3-5-7-9-11-13-15-17-19-21-45-47-31-32-48(57-47)46(22-20-18-16-14-12-10-8-6-4-2)50-34-36-52(59-50)56(44-29-25-42(40-62)26-30-44)54-38-37-53(60-54)55(51-35-33-49(45)58-51)43-27-23-41(39-61)24-28-43/h23-40,58,60H,3-22H2,1-2H3