5,10,15,20-tetrakis(2,3-dihydro-1,4-benzodioxin-6-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(2,3-dihydro-1,4-benzodioxin-6-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(2,3-dihydro-1,4-benzodioxin-6-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(2,3-dihydro-1,4-benzodioxin-6-yl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(2,3-dihydro-1,4-benzodioxin-6-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(2,3-dihydro-1,4-benzodioxin-6-yl)-21,22-dihydroporphine Formula: C52H38N4O8 MolecularWeight: 846.88012

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC(=N6)C(=C7C=CC3=N7)C8=CC9=C(C=C8)OCCO9)C1=CC2=C(C=C1)OCCO2)C1=CC2=C(C=C1)OCCO2)N4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC(=N6)C(=C7C=CC3=N7)C8=CC9=C(C=C8)OCCO9)C1=CC2=C(C=C1)OCCO2)C1=CC2=C(C=C1)OCCO2)N4

InChI

InChI=1S/C52H38N4O8/c1-13-41-45(61-21-17-57-41)25-29(1)49-33-5-7-35(53-33)50(30-2-14-42-46(26-30)62-22-18-58-42)37-9-11-39(55-37)52(32-4-16-44-48(28-32)64-24-20-60-44)40-12-10-38(56-40)51(36-8-6-34(49)54-36)31-3-15-43-47(27-31)63-23-19-59-43/h1-16,25-28,53-54H,17-24H2