ethyl 2-[10,15,20-tris(3-ethoxycarbonylfuran-2-yl)-21,24-dihydroporphyrin-5-yl]furan-3-carboxylate

Systemtic Name: ethyl 2-[10,15,20-tris(3-ethoxycarbonylfuran-2-yl)-21,24-dihydroporphyrin-5-yl]furan-3-carboxylate Openeye Name: ethyl 2-[10,15,20-tris(3-ethoxycarbonyl-2-furyl)-21,24-dihydroporphyrin-5-yl]furan-3-carboxylate CAS Name: 2-[10,15,20-tris(3-ethoxycarbonyl-2-furanyl)-21,24-dihydroporphyrin-5-yl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[10,15,20-tris(3-ethoxycarbonylfuran-2-yl)-21,24-dihydroporphyrin-5-yl]furan-3-carboxylate Traditional Name: 2-[10,15,20-tris(3-carbethoxy-2-furyl)-21,24-dihydroporphin-5-yl]furan-3-carboxylic acid ethyl ester Formula: C48H38N4O12 MolecularWeight: 862.83492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=CO7)C(=O)OCC)C8=C(C=CO8)C(=O)OCC)C9=C(C=CO9)C(=O)OCC)N3

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=CO7)C(=O)OCC)C8=C(C=CO8)C(=O)OCC)C9=C(C=CO9)C(=O)OCC)N3

InChI

InChI=1S/C48H38N4O12/c1-5-57-45(53)25-17-21-61-41(25)37-29-9-11-31(49-29)38(42-26(18-22-62-42)46(54)58-6-2)33-13-15-35(51-33)40(44-28(20-24-64-44)48(56)60-8-4)36-16-14-34(52-36)39(32-12-10-30(37)50-32)43-27(19-23-63-43)47(55)59-7-3/h9-24,49-50H,5-8H2,1-4H3