2-[10-[4-(2-azanyl-5-nitro-4-octoxy-phenyl)phenyl]carbonyloxydecoxycarbonyl]terephthalic acid

Systemtic Name: 2-[10-[4-(2-azanyl-5-nitro-4-octoxy-phenyl)phenyl]carbonyloxydecoxycarbonyl]terephthalic acid Openeye Name: 2-[10-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxydecoxycarbonyl]terephthalic acid CAS Name: 2-[10-[[4-(2-amino-5-nitro-4-octoxyphenyl)phenyl]-oxomethoxy]decoxy-oxomethyl]terephthalic acid IUPAC Name: 2-[10-[4-(2-amino-5-nitro-4-octoxyphenyl)benzoyl]oxydecoxycarbonyl]terephthalic acid Traditional Name: 2-[10-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxydecoxycarbonyl]terephthalic acid Formula: C40H50N2O11 MolecularWeight: 734.8318

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C40H50N2O11/c1-2-3-4-5-10-13-22-51-36-27-34(41)32(26-35(36)42(49)50)28-16-18-29(19-17-28)39(47)52-23-14-11-8-6-7-9-12-15-24-53-40(48)33-25-30(37(43)44)20-21-31(33)38(45)46/h16-21,25-27H,2-15,22-24,41H2,1H3,(H,43,44)(H,45,46)