4-[2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]butanoic acid

Systemtic Name: 4-[2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]butanoic acid Openeye Name: 4-[2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]butanoic acid CAS Name: 4-[2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]butanoic acid IUPAC Name: 4-[2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]butanoic acid Traditional Name: 4-[2-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)phenoxy]butyric acid Formula: C48H36N4O3 MolecularWeight: 716.82444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7OCCCC(=O)O)C8=CC=CC=C8)C9=CC=CC=C9)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7OCCCC(=O)O)C8=CC=CC=C8)C9=CC=CC=C9)N3

InChI

InChI=1S/C48H36N4O3/c53-44(54)21-12-30-55-43-20-11-10-19-34(43)48-41-28-26-39(51-41)46(32-15-6-2-7-16-32)37-24-22-35(49-37)45(31-13-4-1-5-14-31)36-23-25-38(50-36)47(33-17-8-3-9-18-33)40-27-29-42(48)52-40/h1-11,13-20,22-29,49-50H,12,21,30H2,(H,53,54)