2-dodecyl-3,5-bis(4-nitrophenoxy)benzoic acid

Systemtic Name: 2-dodecyl-3,5-bis(4-nitrophenoxy)benzoic acid Openeye Name: 2-dodecyl-3,5-bis(4-nitrophenoxy)benzoic acid CAS Name: 2-dodecyl-3,5-bis(4-nitrophenoxy)benzoic acid IUPAC Name: 2-dodecyl-3,5-bis(4-nitrophenoxy)benzoic acid Traditional Name: 2-lauryl-3,5-bis(4-nitrophenoxy)benzoic acid Formula: C31H36N2O8 MolecularWeight: 564.62614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=C(C=C1C(=O)O)OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=C(C=C1C(=O)O)OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C31H36N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-28-29(31(34)35)21-27(40-25-17-13-23(14-18-25)32(36)37)22-30(28)41-26-19-15-24(16-20-26)33(38)39/h13-22H,2-12H2,1H3,(H,34,35)