zinc 4-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)but-3-yn-2-ol

Systemtic Name: zinc 4-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)but-3-yn-2-ol Openeye Name: zinc 4-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)but-3-yn-2-ol CAS Name: zinc 4-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-3-butyn-2-ol IUPAC Name: zinc 4-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)but-3-yn-2-ol Traditional Name: zinc 4-(10,20-diphenyl-23,24-dihydroporphin-5-yl)but-3-yn-2-ol Formula: C36H26N4OZn+2 MolecularWeight: 596.02684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=C2C=CC(=N2)C(=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)N3)C7=CC=CC=C7)O.[Zn+2]

Isomeric SMILES

CC(C#CC1=C2C=CC(=N2)C(=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=CC=C6)N3)C7=CC=CC=C7)O.[Zn+2]

InChI

InChI=1S/C36H26N4O.Zn/c1-23(41)12-15-28-29-18-20-33(39-29)35(24-8-4-2-5-9-24)31-16-13-26(37-31)22-27-14-17-32(38-27)36(25-10-6-3-7-11-25)34-21-19-30(28)40-34;/h2-11,13-14,16-23,37-38,41H,1H3;/q;+2