12,13-diethynyl-21,22-dihydroporphyrin

Systemtic Name: 12,13-diethynyl-21,22-dihydroporphyrin Openeye Name: 12,13-diethynyl-21,22-dihydroporphyrin CAS Name: 12,13-diethynyl-21,22-dihydroporphyrin IUPAC Name: 12,13-diethynyl-21,22-dihydroporphyrin Traditional Name: 12,13-diethynyl-21,22-dihydroporphine Formula: C24H14N4 MolecularWeight: 358.39476

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C2=NC1=CC3=CC=C(N3)C=C4C=CC(=CC5=NC(=C2)C=C5)N4)C#C

Isomeric SMILES

C#CC1=C(C2=NC1=CC3=CC=C(N3)C=C4C=CC(=CC5=NC(=C2)C=C5)N4)C#C

InChI

InChI=1S/C24H14N4/c1-3-21-22(4-2)24-14-20-10-8-18(27-20)12-16-6-5-15(25-16)11-17-7-9-19(26-17)13-23(21)28-24/h1-2,5-14,25-26H