2-[6-[4-(4-methoxyphenyl)phenoxy]dodecoxy]-1,3-dinitro-benzene

Systemtic Name: 2-[6-[4-(4-methoxyphenyl)phenoxy]dodecoxy]-1,3-dinitro-benzene Openeye Name: 2-[6-[4-(4-methoxyphenyl)phenoxy]dodecoxy]-1,3-dinitro-benzene CAS Name: 2-[6-[4-(4-methoxyphenyl)phenoxy]dodecoxy]-1,3-dinitrobenzene IUPAC Name: 2-[6-[4-(4-methoxyphenyl)phenoxy]dodecoxy]-1,3-dinitrobenzene Traditional Name: 2-[6-[4-(4-methoxyphenyl)phenoxy]dodecoxy]-1,3-dinitro-benzene Formula: C31H38N2O7 MolecularWeight: 550.64262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCOC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-])OC2=CC=C(C=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCC(CCCCCOC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-])OC2=CC=C(C=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C31H38N2O7/c1-3-4-5-7-11-27(40-28-21-17-25(18-22-28)24-15-19-26(38-2)20-16-24)12-8-6-9-23-39-31-29(32(34)35)13-10-14-30(31)33(36)37/h10,13-22,27H,3-9,11-12,23H2,1-2H3