10,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-5,20-diphenyl-21,22-dihydroporphyrin

Systemtic Name: 10,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-5,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 10,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-5,20-diphenyl-21,22-dihydroporphyrin CAS Name: 10,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-5,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 10,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-5,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 10,15-bis(5,5-dimethyl-1,3-dioxan-2-yl)-5,20-diphenyl-21,22-dihydroporphine Formula: C44H42N4O4 MolecularWeight: 690.82868

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7OCC(CO7)(C)C)C8=CC=CC=C8)N4)C9=CC=CC=C9)C

Isomeric SMILES

CC1(COC(OC1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7OCC(CO7)(C)C)C8=CC=CC=C8)N4)C9=CC=CC=C9)C

InChI

InChI=1S/C44H42N4O4/c1-43(2)23-49-41(50-24-43)39-33-19-17-31(46-33)37(27-11-7-5-8-12-27)29-15-16-30(45-29)38(28-13-9-6-10-14-28)32-18-20-34(47-32)40(36-22-21-35(39)48-36)42-51-25-44(3,4)26-52-42/h5-22,41-42,45-46H,23-26H2,1-4H3