2,17,18,20-tetraoctadecyl-21,22-dihydroporphyrin

Systemtic Name: 2,17,18,20-tetraoctadecyl-21,22-dihydroporphyrin Openeye Name: 2,17,18,20-tetraoctadecyl-21,22-dihydroporphyrin CAS Name: 2,17,18,20-tetraoctadecyl-21,22-dihydroporphyrin IUPAC Name: 2,17,18,20-tetraoctadecyl-21,22-dihydroporphyrin Traditional Name: 2,17,18,20-tetrastearyl-21,22-dihydroporphine Formula: C92H158N4 MolecularWeight: 1320.26572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C2C(=C3C(=C(C(=N3)C=C4C=CC(=N4)C=C5C=CC(=CC(=C1)N2)N5)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C2C(=C3C(=C(C(=N3)C=C4C=CC(=N4)C=C5C=CC(=CC(=C1)N2)N5)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C92H158N4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-81-77-86-79-84-74-73-82(93-84)78-83-75-76-85(94-83)80-90-87(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)88(71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)92(96-90)89(91(81)95-86)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h73-80,93,95H,5-72H2,1-4H3