4-hexadecan-6-yloxy-2-methyl-5-[2-(4-nitrophenoxy)ethoxy]-1,3-benzoxazole

Systemtic Name: 4-hexadecan-6-yloxy-2-methyl-5-[2-(4-nitrophenoxy)ethoxy]-1,3-benzoxazole Openeye Name: 2-methyl-5-[2-(4-nitrophenoxy)ethoxy]-4-(1-pentylundecoxy)-1,3-benzoxazole CAS Name: 4-hexadecan-6-yloxy-2-methyl-5-[2-(4-nitrophenoxy)ethoxy]-1,3-benzoxazole IUPAC Name: 4-hexadecan-6-yloxy-2-methyl-5-[2-(4-nitrophenoxy)ethoxy]-1,3-benzoxazole Traditional Name: 4-(1-amylundecoxy)-2-methyl-5-[2-(4-nitrophenoxy)ethoxy]-1,3-benzoxazole Formula: C32H46N2O6 MolecularWeight: 554.71744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCC)OC1=C(C=CC2=C1N=C(O2)C)OCCOC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCC(CCCCC)OC1=C(C=CC2=C1N=C(O2)C)OCCOC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C32H46N2O6/c1-4-6-8-9-10-11-12-14-16-28(15-13-7-5-2)40-32-30(22-21-29-31(32)33-25(3)39-29)38-24-23-37-27-19-17-26(18-20-27)34(35)36/h17-22,28H,4-16,23-24H2,1-3H3