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

Systemtic Name: 2-hexadecyl-3,5-bis(4-nitrophenoxy)benzoic acid Openeye Name: 2-hexadecyl-3,5-bis(4-nitrophenoxy)benzoic acid CAS Name: 2-hexadecyl-3,5-bis(4-nitrophenoxy)benzoic acid IUPAC Name: 2-hexadecyl-3,5-bis(4-nitrophenoxy)benzoic acid Traditional Name: 2-cetyl-3,5-bis(4-nitrophenoxy)benzoic acid Formula: C35H44N2O8 MolecularWeight: 620.73246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=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

CCCCCCCCCCCCCCCCC1=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/C35H44N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-32-33(35(38)39)25-31(44-29-21-17-27(18-22-29)36(40)41)26-34(32)45-30-23-19-28(20-24-30)37(42)43/h17-26H,2-16H2,1H3,(H,38,39)