2-[11-[4-(2-azanyl-5-nitro-4-octoxy-phenyl)phenyl]carbonyloxyundecoxycarbonyl]terephthalic acid

Systemtic Name: 2-[11-[4-(2-azanyl-5-nitro-4-octoxy-phenyl)phenyl]carbonyloxyundecoxycarbonyl]terephthalic acid Openeye Name: 2-[11-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxyundecoxycarbonyl]terephthalic acid CAS Name: 2-[11-[[4-(2-amino-5-nitro-4-octoxyphenyl)phenyl]-oxomethoxy]undecoxy-oxomethyl]terephthalic acid IUPAC Name: 2-[11-[4-(2-amino-5-nitro-4-octoxyphenyl)benzoyl]oxyundecoxycarbonyl]terephthalic acid Traditional Name: 2-[11-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxyundecoxycarbonyl]terephthalic acid Formula: C41H52N2O11 MolecularWeight: 748.85838

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C41H52N2O11/c1-2-3-4-5-11-14-23-52-37-28-35(42)33(27-36(37)43(50)51)29-17-19-30(20-18-29)40(48)53-24-15-12-9-7-6-8-10-13-16-25-54-41(49)34-26-31(38(44)45)21-22-32(34)39(46)47/h17-22,26-28H,2-16,23-25,42H2,1H3,(H,44,45)(H,46,47)