(4-methoxyphenyl) 4-[4-[4,4-bis(4-nitrophenoxy)butoxymethyl]phenyl]benzoate

Systemtic Name: (4-methoxyphenyl) 4-[4-[4,4-bis(4-nitrophenoxy)butoxymethyl]phenyl]benzoate Openeye Name: (4-methoxyphenyl) 4-[4-[4,4-bis(4-nitrophenoxy)butoxymethyl]phenyl]benzoate CAS Name: 4-[4-[4,4-bis(4-nitrophenoxy)butoxymethyl]phenyl]benzoic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 4-[4-[4,4-bis(4-nitrophenoxy)butoxymethyl]phenyl]benzoate Traditional Name: 4-[4-[4,4-bis(4-nitrophenoxy)butoxymethyl]phenyl]benzoic acid (4-methoxyphenyl) ester Formula: C37H32N2O10 MolecularWeight: 664.65738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)COCCCC(OC4=CC=C(C=C4)[N+](=O)[O-])OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)COCCCC(OC4=CC=C(C=C4)[N+](=O)[O-])OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C37H32N2O10/c1-45-32-20-22-35(23-21-32)49-37(40)29-10-8-28(9-11-29)27-6-4-26(5-7-27)25-46-24-2-3-36(47-33-16-12-30(13-17-33)38(41)42)48-34-18-14-31(15-19-34)39(43)44/h4-23,36H,2-3,24-25H2,1H3