5,15-bis(2,6-dimethoxy-4-tridecyl-phenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,15-bis(2,6-dimethoxy-4-tridecyl-phenyl)-21,22-dihydroporphyrin Openeye Name: 5,15-bis(2,6-dimethoxy-4-tridecyl-phenyl)-21,22-dihydroporphyrin CAS Name: 5,15-bis(2,6-dimethoxy-4-tridecylphenyl)-21,22-dihydroporphyrin IUPAC Name: 5,15-bis(2,6-dimethoxy-4-tridecylphenyl)-21,22-dihydroporphyrin Traditional Name: 5,15-bis(2,6-dimethoxy-4-tridecyl-phenyl)-21,22-dihydroporphine Formula: C62H82N4O4 MolecularWeight: 947.33888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC(=C(C(=C1)OC)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=C(C=C(C=C7OC)CCCCCCCCCCCCC)OC)C=C4)N3)OC

Isomeric SMILES

CCCCCCCCCCCCCC1=CC(=C(C(=C1)OC)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=C(C=C(C=C7OC)CCCCCCCCCCCCC)OC)C=C4)N3)OC

InChI

InChI=1S/C62H82N4O4/c1-7-9-11-13-15-17-19-21-23-25-27-29-45-39-55(67-3)61(56(40-45)68-4)59-51-35-31-47(63-51)43-49-33-37-53(65-49)60(54-38-34-50(66-54)44-48-32-36-52(59)64-48)62-57(69-5)41-46(42-58(62)70-6)30-28-26-24-22-20-18-16-14-12-10-8-2/h31-44,63-64H,7-30H2,1-6H3