2-[4-[4-[(4-nitrophenyl)diazenyl]phenoxy]butoxycarbonyl]terephthalic acid

Systemtic Name: 2-[4-[4-[(4-nitrophenyl)diazenyl]phenoxy]butoxycarbonyl]terephthalic acid Openeye Name: 2-[4-[4-(4-nitrophenyl)azophenoxy]butoxycarbonyl]terephthalic acid CAS Name: 2-[4-[4-(4-nitrophenyl)azophenoxy]butoxy-oxomethyl]terephthalic acid IUPAC Name: 2-[4-[4-[(4-nitrophenyl)diazenyl]phenoxy]butoxycarbonyl]terephthalic acid Traditional Name: 2-[4-[4-(4-nitrophenyl)azophenoxy]butoxycarbonyl]terephthalic acid Formula: C25H21N3O9 MolecularWeight: 507.44894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=CC=C(C=C2)OCCCCOC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N=NC2=CC=C(C=C2)OCCCCOC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O9/c29-23(30)16-3-12-21(24(31)32)22(15-16)25(33)37-14-2-1-13-36-20-10-6-18(7-11-20)27-26-17-4-8-19(9-5-17)28(34)35/h3-12,15H,1-2,13-14H2,(H,29,30)(H,31,32)