4-[4-(4-decoxyphenyl)phenoxy]-2-isocyano-1-octan-2-yloxy-benzene

Systemtic Name: 4-[4-(4-decoxyphenyl)phenoxy]-2-isocyano-1-octan-2-yloxy-benzene Openeye Name: 4-[4-(4-decoxyphenyl)phenoxy]-2-isocyano-1-(1-methylheptoxy)benzene CAS Name: 4-[4-(4-decoxyphenyl)phenoxy]-2-isocyano-1-octan-2-yloxybenzene IUPAC Name: 4-[4-(4-decoxyphenyl)phenoxy]-2-isocyano-1-octan-2-yloxybenzene Traditional Name: 4-[4-(4-decoxyphenyl)phenoxy]-2-isocyano-1-(1-methylheptoxy)benzene Formula: C37H49NO3 MolecularWeight: 555.78986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC3=CC(=C(C=C3)OC(C)CCCCCC)[N+]#[C-]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC3=CC(=C(C=C3)OC(C)CCCCCC)[N+]#[C-]

InChI

InChI=1S/C37H49NO3/c1-5-7-9-11-12-13-14-16-28-39-33-22-18-31(19-23-33)32-20-24-34(25-21-32)41-35-26-27-37(36(29-35)38-4)40-30(3)17-15-10-8-6-2/h18-27,29-30H,5-17,28H2,1-3H3