tetrapropyl 21,22-dihydroporphyrin-5,10,15,20-tetracarboxylate

Systemtic Name: tetrapropyl 21,22-dihydroporphyrin-5,10,15,20-tetracarboxylate Openeye Name: tetrapropyl 21,22-dihydroporphyrin-5,10,15,20-tetracarboxylate CAS Name: 21,22-dihydroporphyrin-5,10,15,20-tetracarboxylic acid tetrapropyl ester IUPAC Name: tetrapropyl 21,22-dihydroporphyrin-5,10,15,20-tetracarboxylate Traditional Name: 21,22-dihydroporphine-5,10,15,20-tetracarboxylic acid tetrapropyl ester Formula: C36H38N4O8 MolecularWeight: 654.70892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C(=O)OCCC)C(=O)OCCC)C(=O)OCCC)N2

Isomeric SMILES

CCCOC(=O)C1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C(=O)OCCC)C(=O)OCCC)C(=O)OCCC)N2

InChI

InChI=1S/C36H38N4O8/c1-5-17-45-33(41)29-21-9-11-23(37-21)30(34(42)46-18-6-2)25-13-15-27(39-25)32(36(44)48-20-8-4)28-16-14-26(40-28)31(35(43)47-19-7-3)24-12-10-22(29)38-24/h9-16,37-38H,5-8,17-20H2,1-4H3