2-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxycarbonyl]terephthalic acid

Systemtic Name: 2-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxycarbonyl]terephthalic acid Openeye Name: 2-[8-[4-(4-nitrophenyl)azophenoxy]octoxycarbonyl]terephthalic acid CAS Name: 2-[8-[4-(4-nitrophenyl)azophenoxy]octoxy-oxomethyl]terephthalic acid IUPAC Name: 2-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxycarbonyl]terephthalic acid Traditional Name: 2-[8-[4-(4-nitrophenyl)azophenoxy]octoxycarbonyl]terephthalic acid Formula: C29H29N3O9 MolecularWeight: 563.55526

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H29N3O9/c33-27(34)20-7-16-25(28(35)36)26(19-20)29(37)41-18-6-4-2-1-3-5-17-40-24-14-10-22(11-15-24)31-30-21-8-12-23(13-9-21)32(38)39/h7-16,19H,1-6,17-18H2,(H,33,34)(H,35,36)