3-[4-[2-[2-[2-[2-[2-[3-[4-[2-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]ethoxy]phenyl]-2-methyl-propanoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[2-[2-[2-[2-[3-[4-[2-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]ethoxy]phenyl]-2-methyl-propanoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propanoic acid Openeye Name: 3-[4-[2-[2-[2-[2-[2-[3-[4-[2-[4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-anilino]ethoxy]phenyl]-2-methyl-propanoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propanoic acid CAS Name: 3-[4-[2-[2-[2-[2-[2-[3-[4-[2-[4-(2-chloro-4-nitrophenyl)azo-N-ethylanilino]ethoxy]phenyl]-2-methyl-1-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[2-[2-[2-[2-[3-[4-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethoxy]phenyl]-2-methylpropanoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propanoic acid Traditional Name: 3-[4-[2-[2-[2-[2-[2-[3-[4-[2-[4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-anilino]ethoxy]phenyl]-2-methyl-propanoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propionic acid Formula: C45H55ClN4O12 MolecularWeight: 879.3908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC1=CC=C(C=C1)CC(C)C(=O)OCCOCCOCCOCCOCCOC2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)N=NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCN(CCOC1=CC=C(C=C1)CC(C)C(=O)OCCOCCOCCOCCOCCOC2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)N=NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C45H55ClN4O12/c1-3-49(38-11-9-37(10-12-38)47-48-43-18-13-39(50(54)55)33-42(43)46)20-21-60-40-16-6-36(7-17-40)32-34(2)45(53)62-31-29-59-27-25-57-23-22-56-24-26-58-28-30-61-41-14-4-35(5-15-41)8-19-44(51)52/h4-7,9-18,33-34H,3,8,19-32H2,1-2H3,(H,51,52)