2,3,7,8,12,13,17,18-octakis-decoxy-21,22-dihydroporphyrin

Systemtic Name: 2,3,7,8,12,13,17,18-octakis-decoxy-21,22-dihydroporphyrin Openeye Name: 2,3,7,8,12,13,17,18-octakis-decoxy-21,22-dihydroporphyrin CAS Name: 2,3,7,8,12,13,17,18-octakis-decoxy-21,22-dihydroporphyrin IUPAC Name: 2,3,7,8,12,13,17,18-octakis-decoxy-21,22-dihydroporphyrin Traditional Name: 2,3,7,8,12,13,17,18-octakis-decoxy-21,22-dihydroporphine Formula: C100H174N4O8 MolecularWeight: 1560.47356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)OCCCCCCCCCC)OCCCCCCCCCC)C(=C4OCCCCCCCCCC)OCCCCCCCCCC)C(=C3OCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)OCCCCCCCCCC)OCCCCCCCCCC)C(=C4OCCCCCCCCCC)OCCCCCCCCCC)C(=C3OCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC

InChI

InChI=1S/C100H174N4O8/c1-9-17-25-33-41-49-57-65-73-105-93-85-81-87-95(107-75-67-59-51-43-35-27-19-11-3)97(109-77-69-61-53-45-37-29-21-13-5)89(102-87)83-91-99(111-79-71-63-55-47-39-31-23-15-7)100(112-80-72-64-56-48-40-32-24-16-8)92(104-91)84-90-98(110-78-70-62-54-46-38-30-22-14-6)96(108-76-68-60-52-44-36-28-20-12-4)88(103-90)82-86(101-85)94(93)106-74-66-58-50-42-34-26-18-10-2/h81-84,101-102H,9-80H2,1-8H3