2-[4-[4-(2-azanyl-5-nitro-4-octoxy-phenyl)phenyl]carbonyloxyphenyl]-6-methoxycarbonyl-terephthalic acid; 6-phenoxyhexyl prop-2-enoate

Systemtic Name: 2-[4-[4-(2-azanyl-5-nitro-4-octoxy-phenyl)phenyl]carbonyloxyphenyl]-6-methoxycarbonyl-terephthalic acid; 6-phenoxyhexyl prop-2-enoate Openeye Name: 2-[4-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxyphenyl]-6-methoxycarbonyl-terephthalic acid; 6-phenoxyhexyl prop-2-enoate CAS Name: 2-[4-[[4-(2-amino-5-nitro-4-octoxyphenyl)phenyl]-oxomethoxy]phenyl]-6-methoxycarbonylterephthalic acid; 2-propenoic acid 6-phenoxyhexyl ester IUPAC Name: 2-[4-[4-(2-amino-5-nitro-4-octoxyphenyl)benzoyl]oxyphenyl]-6-methoxycarbonylterephthalic acid; 6-phenoxyhexyl prop-2-enoate Traditional Name: acrylic acid 6-phenoxyhexyl ester; 2-[4-[4-(2-amino-5-nitro-4-octoxy-phenyl)benzoyl]oxyphenyl]-6-carbomethoxy-terephthalic acid Formula: C52H56N2O14 MolecularWeight: 933.00604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)N)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC(=CC(=C4C(=O)O)C(=O)OC)C(=O)O)[N+](=O)[O-].C=CC(=O)OCCCCCCOC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)N)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC(=CC(=C4C(=O)O)C(=O)OC)C(=O)O)[N+](=O)[O-].C=CC(=O)OCCCCCCOC1=CC=CC=C1

InChI

InChI=1S/C37H36N2O11.C15H20O3/c1-3-4-5-6-7-8-17-49-32-21-30(38)27(20-31(32)39(46)47)22-9-11-24(12-10-22)36(44)50-26-15-13-23(14-16-26)28-18-25(34(40)41)19-29(37(45)48-2)33(28)35(42)43;1-2-15(16)18-13-9-4-3-8-12-17-14-10-6-5-7-11-14/h9-16,18-21H,3-8,17,38H2,1-2H3,(H,40,41)(H,42,43);2,5-7,10-11H,1,3-4,8-9,12-13H2