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

Systemtic Name: tetrahexyl 21,22-dihydroporphyrin-5,10,15,20-tetracarboxylate Openeye Name: tetrahexyl 21,22-dihydroporphyrin-5,10,15,20-tetracarboxylate CAS Name: 21,22-dihydroporphyrin-5,10,15,20-tetracarboxylic acid tetrahexyl ester IUPAC Name: tetrahexyl 21,22-dihydroporphyrin-5,10,15,20-tetracarboxylate Traditional Name: 21,22-dihydroporphine-5,10,15,20-tetracarboxylic acid tetrahexyl ester Formula: C48H62N4O8 MolecularWeight: 823.02788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H62N4O8/c1-5-9-13-17-29-57-45(53)41-33-21-23-35(49-33)42(46(54)58-30-18-14-10-6-2)37-25-27-39(51-37)44(48(56)60-32-20-16-12-8-4)40-28-26-38(52-40)43(36-24-22-34(41)50-36)47(55)59-31-19-15-11-7-3/h21-28,49-50H,5-20,29-32H2,1-4H3