2-[6-[4-[(4-nitrophenyl)diazenyl]phenoxy]hexoxycarbonyl]terephthalic acid

Systemtic Name: 2-[6-[4-[(4-nitrophenyl)diazenyl]phenoxy]hexoxycarbonyl]terephthalic acid Openeye Name: 2-[6-[4-(4-nitrophenyl)azophenoxy]hexoxycarbonyl]terephthalic acid CAS Name: 2-[6-[4-(4-nitrophenyl)azophenoxy]hexoxy-oxomethyl]terephthalic acid IUPAC Name: 2-[6-[4-[(4-nitrophenyl)diazenyl]phenoxy]hexoxycarbonyl]terephthalic acid Traditional Name: 2-[6-[4-(4-nitrophenyl)azophenoxy]hexoxycarbonyl]terephthalic acid Formula: C27H25N3O9 MolecularWeight: 535.5021

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H25N3O9/c31-25(32)18-5-14-23(26(33)34)24(17-18)27(35)39-16-4-2-1-3-15-38-22-12-8-20(9-13-22)29-28-19-6-10-21(11-7-19)30(36)37/h5-14,17H,1-4,15-16H2,(H,31,32)(H,33,34)