[5-(dimethylamino)-2-[(5-iodanyl-4-nitro-2-octan-2-yloxy-phenyl)diazenyl]-4-octan-2-yloxy-phenyl] 4-(4-decoxyphenyl)benzoate

Systemtic Name: [5-(dimethylamino)-2-[(5-iodanyl-4-nitro-2-octan-2-yloxy-phenyl)diazenyl]-4-octan-2-yloxy-phenyl] 4-(4-decoxyphenyl)benzoate Openeye Name: [5-(dimethylamino)-2-[5-iodo-2-(1-methylheptoxy)-4-nitro-phenyl]azo-4-(1-methylheptoxy)phenyl] 4-(4-decoxyphenyl)benzoate CAS Name: 4-(4-decoxyphenyl)benzoic acid [5-(dimethylamino)-2-(5-iodo-4-nitro-2-octan-2-yloxyphenyl)azo-4-octan-2-yloxyphenyl] ester IUPAC Name: [5-(dimethylamino)-2-[(5-iodo-4-nitro-2-octan-2-yloxyphenyl)diazenyl]-4-octan-2-yloxyphenyl] 4-(4-decoxyphenyl)benzoate Traditional Name: 4-(4-decoxyphenyl)benzoic acid [5-(dimethylamino)-2-[5-iodo-2-(1-methylheptoxy)-4-nitro-phenyl]azo-4-(1-methylheptoxy)phenyl] ester Formula: C53H73IN4O7 MolecularWeight: 1005.07379

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3N=NC4=CC(=C(C=C4OC(C)CCCCCC)[N+](=O)[O-])I)OC(C)CCCCCC)N(C)C

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3N=NC4=CC(=C(C=C4OC(C)CCCCCC)[N+](=O)[O-])I)OC(C)CCCCCC)N(C)C

InChI

InChI=1S/C53H73IN4O7/c1-8-11-14-17-18-19-20-23-34-62-44-32-30-42(31-33-44)41-26-28-43(29-27-41)53(59)65-51-38-49(57(6)7)52(64-40(5)25-22-16-13-10-3)36-47(51)56-55-46-35-45(54)48(58(60)61)37-50(46)63-39(4)24-21-15-12-9-2/h26-33,35-40H,8-25,34H2,1-7H3