2,17,18,20-tetrakis(3,4-dimethoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 2,17,18,20-tetrakis(3,4-dimethoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 2,17,18,20-tetrakis(3,4-dimethoxyphenyl)-21,22-dihydroporphyrin CAS Name: 2,17,18,20-tetrakis(3,4-dimethoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 2,17,18,20-tetrakis(3,4-dimethoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 2,17,18,20-tetrakis(3,4-dimethoxyphenyl)-21,22-dihydroporphine Formula: C52H46N4O8 MolecularWeight: 854.94364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC(=C(C=C7)OC)OC)C8=CC(=C(C=C8)OC)OC)C9=CC(=C(C=C9)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC(=C(C=C7)OC)OC)C8=CC(=C(C=C8)OC)OC)C9=CC(=C(C=C9)OC)OC)OC

InChI

InChI=1S/C52H46N4O8/c1-57-40-17-9-29(21-44(40)61-5)38-27-37-26-35-14-13-33(53-35)25-34-15-16-36(54-34)28-39-48(30-10-18-41(58-2)45(22-30)62-6)49(31-11-19-42(59-3)46(23-31)63-7)52(56-39)50(51(38)55-37)32-12-20-43(60-4)47(24-32)64-8/h9-28,53,55H,1-8H3