4-[4-(4-decoxyphenyl)phenyl]-2-nitro-1-octan-2-yloxy-benzene

Systemtic Name: 4-[4-(4-decoxyphenyl)phenyl]-2-nitro-1-octan-2-yloxy-benzene Openeye Name: 4-[4-(4-decoxyphenyl)phenyl]-1-(1-methylheptoxy)-2-nitro-benzene CAS Name: 4-[4-(4-decoxyphenyl)phenyl]-2-nitro-1-octan-2-yloxybenzene IUPAC Name: 4-[4-(4-decoxyphenyl)phenyl]-2-nitro-1-octan-2-yloxybenzene Traditional Name: 4-[4-(4-decoxyphenyl)phenyl]-1-(1-methylheptoxy)-2-nitro-benzene Formula: C36H49NO4 MolecularWeight: 559.77856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H49NO4/c1-4-6-8-10-11-12-13-15-27-40-34-24-21-31(22-25-34)30-17-19-32(20-18-30)33-23-26-36(35(28-33)37(38)39)41-29(3)16-14-9-7-5-2/h17-26,28-29H,4-16,27H2,1-3H3