dodecyl 3,5-bis(4-nitrophenoxy)benzoate

Systemtic Name: dodecyl 3,5-bis(4-nitrophenoxy)benzoate Openeye Name: dodecyl 3,5-bis(4-nitrophenoxy)benzoate CAS Name: 3,5-bis(4-nitrophenoxy)benzoic acid dodecyl ester IUPAC Name: dodecyl 3,5-bis(4-nitrophenoxy)benzoate Traditional Name: 3,5-bis(4-nitrophenoxy)benzoic acid lauryl ester Formula: C31H36N2O8 MolecularWeight: 564.62614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C31H36N2O8/c1-2-3-4-5-6-7-8-9-10-11-20-39-31(34)24-21-29(40-27-16-12-25(13-17-27)32(35)36)23-30(22-24)41-28-18-14-26(15-19-28)33(37)38/h12-19,21-23H,2-11,20H2,1H3