2-[4-[4-[(4-nitrophenyl)diazenyl]phenoxy]butoxycarbonyl]terephthalic acid; 6-phenoxyhexyl prop-2-enoate

Systemtic Name: 2-[4-[4-[(4-nitrophenyl)diazenyl]phenoxy]butoxycarbonyl]terephthalic acid; 6-phenoxyhexyl prop-2-enoate Openeye Name: 2-[4-[4-(4-nitrophenyl)azophenoxy]butoxycarbonyl]terephthalic acid; 6-phenoxyhexyl prop-2-enoate CAS Name: 2-[4-[4-(4-nitrophenyl)azophenoxy]butoxy-oxomethyl]terephthalic acid; 2-propenoic acid 6-phenoxyhexyl ester IUPAC Name: 2-[4-[4-[(4-nitrophenyl)diazenyl]phenoxy]butoxycarbonyl]terephthalic acid; 6-phenoxyhexyl prop-2-enoate Traditional Name: acrylic acid 6-phenoxyhexyl ester; 2-[4-[4-(4-nitrophenyl)azophenoxy]butoxycarbonyl]terephthalic acid Formula: C40H41N3O12 MolecularWeight: 755.76644

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OCCCCCCOC1=CC=CC=C1.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

C=CC(=O)OCCCCCCOC1=CC=CC=C1.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.C15H20O3/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;1-2-15(16)18-13-9-4-3-8-12-17-14-10-6-5-7-11-14/h3-12,15H,1-2,13-14H2,(H,29,30)(H,31,32);2,5-7,10-11H,1,3-4,8-9,12-13H2