5,10,15,20-tetrakis(1,3-benzodioxol-5-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(1,3-benzodioxol-5-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1,3-benzodioxol-5-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1,3-benzodioxol-5-yl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1,3-benzodioxol-5-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1,3-benzodioxol-5-yl)-21,22-dihydroporphine Formula: C48H30N4O8 MolecularWeight: 790.7738

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC(=N6)C(=C7C=CC3=N7)C8=CC9=C(C=C8)OCO9)C1=CC2=C(C=C1)OCO2)C1=CC2=C(C=C1)OCO2)N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC(=N6)C(=C7C=CC3=N7)C8=CC9=C(C=C8)OCO9)C1=CC2=C(C=C1)OCO2)C1=CC2=C(C=C1)OCO2)N4

InChI

InChI=1S/C48H30N4O8/c1-13-37-41(57-21-53-37)17-25(1)45-29-5-7-31(49-29)46(26-2-14-38-42(18-26)58-22-54-38)33-9-11-35(51-33)48(28-4-16-40-44(20-28)60-24-56-40)36-12-10-34(52-36)47(32-8-6-30(45)50-32)27-3-15-39-43(19-27)59-23-55-39/h1-20,49-50H,21-24H2