(19Z)-5,5,10,15,15,20-hexabutyl-21,22-dihydroporphyrin

Systemtic Name: (19Z)-5,5,10,15,15,20-hexabutyl-21,22-dihydroporphyrin Openeye Name: (19Z)-5,5,10,15,15,20-hexabutyl-21,22-dihydroporphyrin CAS Name: (19Z)-5,5,10,15,15,20-hexabutyl-21,22-dihydroporphyrin IUPAC Name: (19Z)-5,5,10,15,15,20-hexabutyl-21,22-dihydroporphyrin Traditional Name: (19Z)-5,5,10,15,15,20-hexabutyl-21,22-dihydroporphine Formula: C44H64N4 MolecularWeight: 649.00576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=N2)C(C3=NC(=C(C4=CC=C(N4)C(C5=CC=C1N5)(CCCC)CCCC)CCCC)C=C3)(CCCC)CCCC

Isomeric SMILES

CCCCC1=C2C=CC(=N2)C(C3=N/C(=C(\C4=CC=C(N4)C(C5=CC=C1N5)(CCCC)CCCC)/CCCC)/C=C3)(CCCC)CCCC

InChI

InChI=1S/C44H64N4/c1-7-13-19-33-35-21-25-39(45-35)43(29-15-9-3,30-16-10-4)41-27-23-37(47-41)34(20-14-8-2)38-24-28-42(48-38)44(31-17-11-5,32-18-12-6)40-26-22-36(33)46-40/h21-28,45,47H,7-20,29-32H2,1-6H3/b36-33-,38-34?