(3-nitro-4-octan-2-yloxy-phenyl) 4-[4-(10-triethylsilyldecyl)phenyl]benzoate

Systemtic Name: (3-nitro-4-octan-2-yloxy-phenyl) 4-[4-(10-triethylsilyldecyl)phenyl]benzoate Openeye Name: [4-(1-methylheptoxy)-3-nitro-phenyl] 4-[4-(10-triethylsilyldecyl)phenyl]benzoate CAS Name: 4-[4-(10-triethylsilyldecyl)phenyl]benzoic acid (3-nitro-4-octan-2-yloxyphenyl) ester IUPAC Name: (3-nitro-4-octan-2-yloxyphenyl) 4-[4-(10-triethylsilyldecyl)phenyl]benzoate Traditional Name: 4-[4-(10-triethylsilyldecyl)phenyl]benzoic acid [4-(1-methylheptoxy)-3-nitro-phenyl] ester Formula: C43H63NO5Si MolecularWeight: 702.04952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCCCCCC[Si](CC)(CC)CC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCCCCCC[Si](CC)(CC)CC)[N+](=O)[O-]

InChI

InChI=1S/C43H63NO5Si/c1-6-10-11-18-21-35(5)48-42-32-31-40(34-41(42)44(46)47)49-43(45)39-29-27-38(28-30-39)37-25-23-36(24-26-37)22-19-16-14-12-13-15-17-20-33-50(7-2,8-3)9-4/h23-32,34-35H,6-22,33H2,1-5H3