2-[10-[4-(2-azanyl-5-nitro-4-octoxy-phenyl)phenyl]carbonyloxydecoxycarbonyl]terephthalic acid; 11-phenoxyundecyl prop-2-enoate

Systemtic Name: 2-[10-[4-(2-azanyl-5-nitro-4-octoxy-phenyl)phenyl]carbonyloxydecoxycarbonyl]terephthalic acid; 11-phenoxyundecyl prop-2-enoate Openeye Name: 2-[10-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxydecoxycarbonyl]terephthalic acid; 11-phenoxyundecyl prop-2-enoate CAS Name: 2-[10-[[4-(2-amino-5-nitro-4-octoxyphenyl)phenyl]-oxomethoxy]decoxy-oxomethyl]terephthalic acid; 2-propenoic acid 11-phenoxyundecyl ester IUPAC Name: 2-[10-[4-(2-amino-5-nitro-4-octoxyphenyl)benzoyl]oxydecoxycarbonyl]terephthalic acid; 11-phenoxyundecyl prop-2-enoate Traditional Name: acrylic acid 11-phenoxyundecyl ester; 2-[10-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxydecoxycarbonyl]terephthalic acid Formula: C60H80N2O14 MolecularWeight: 1053.2822

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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-].C=CC(=O)OCCCCCCCCCCCOC1=CC=CC=C1

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-].C=CC(=O)OCCCCCCCCCCCOC1=CC=CC=C1

InChI

InChI=1S/C40H50N2O11.C20H30O3/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;1-2-20(21)23-18-14-9-7-5-3-4-6-8-13-17-22-19-15-11-10-12-16-19/h16-21,25-27H,2-15,22-24,41H2,1H3,(H,43,44)(H,45,46);2,10-12,15-16H,1,3-9,13-14,17-18H2