2-[8-[4-(2-azanyl-5-nitro-4-octoxy-phenyl)phenyl]carbonyloxyoctoxycarbonyl]terephthalic acid

Systemtic Name: 2-[8-[4-(2-azanyl-5-nitro-4-octoxy-phenyl)phenyl]carbonyloxyoctoxycarbonyl]terephthalic acid Openeye Name: 2-[8-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxyoctoxycarbonyl]terephthalic acid CAS Name: 2-[8-[[4-(2-amino-5-nitro-4-octoxyphenyl)phenyl]-oxomethoxy]octoxy-oxomethyl]terephthalic acid IUPAC Name: 2-[8-[4-(2-amino-5-nitro-4-octoxyphenyl)benzoyl]oxyoctoxycarbonyl]terephthalic acid Traditional Name: 2-[8-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxyoctoxycarbonyl]terephthalic acid Formula: C38H46N2O11 MolecularWeight: 706.77864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)N)C2=CC=C(C=C2)C(=O)OCCCCCCCCOC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)N)C2=CC=C(C=C2)C(=O)OCCCCCCCCOC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C38H46N2O11/c1-2-3-4-5-8-11-20-49-34-25-32(39)30(24-33(34)40(47)48)26-14-16-27(17-15-26)37(45)50-21-12-9-6-7-10-13-22-51-38(46)31-23-28(35(41)42)18-19-29(31)36(43)44/h14-19,23-25H,2-13,20-22,39H2,1H3,(H,41,42)(H,43,44)