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

Systemtic Name: 2-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]ethanoic acid Openeye Name: 2-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]acetic acid CAS Name: 2-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]acetic acid IUPAC Name: 2-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenoxy]acetic acid Traditional Name: 2-[4-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)phenoxy]acetic acid Formula: C46H32N4O3 MolecularWeight: 688.77128

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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=C(C=C7)OCC(=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=C(C=C7)OCC(=O)O)C8=CC=CC=C8)C9=CC=CC=C9)N3

InChI

InChI=1S/C46H32N4O3/c51-42(52)28-53-33-18-16-32(17-19-33)46-40-26-24-38(49-40)44(30-12-6-2-7-13-30)36-22-20-34(47-36)43(29-10-4-1-5-11-29)35-21-23-37(48-35)45(31-14-8-3-9-15-31)39-25-27-41(46)50-39/h1-27,47-48H,28H2,(H,51,52)