2-[12-[4-(2-azanyl-5-nitro-4-octoxy-phenyl)phenyl]carbonyloxydodecoxycarbonyl]terephthalic acid

Systemtic Name: 2-[12-[4-(2-azanyl-5-nitro-4-octoxy-phenyl)phenyl]carbonyloxydodecoxycarbonyl]terephthalic acid Openeye Name: 2-[12-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxydodecoxycarbonyl]terephthalic acid CAS Name: 2-[12-[[4-(2-amino-5-nitro-4-octoxyphenyl)phenyl]-oxomethoxy]dodecoxy-oxomethyl]terephthalic acid IUPAC Name: 2-[12-[4-(2-amino-5-nitro-4-octoxyphenyl)benzoyl]oxydodecoxycarbonyl]terephthalic acid Traditional Name: 2-[12-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxydodecoxycarbonyl]terephthalic acid Formula: C42H54N2O11 MolecularWeight: 762.88496

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C42H54N2O11/c1-2-3-4-5-12-15-24-53-38-29-36(43)34(28-37(38)44(51)52)30-18-20-31(21-19-30)41(49)54-25-16-13-10-8-6-7-9-11-14-17-26-55-42(50)35-27-32(39(45)46)22-23-33(35)40(47)48/h18-23,27-29H,2-17,24-26,43H2,1H3,(H,45,46)(H,47,48)