(4-hexan-2-yloxy-3-nitro-phenyl) 4-[4-(11-prop-2-enoyloxyundecoxy)phenyl]benzoate

Systemtic Name: (4-hexan-2-yloxy-3-nitro-phenyl) 4-[4-(11-prop-2-enoyloxyundecoxy)phenyl]benzoate Openeye Name: [4-(1-methylpentoxy)-3-nitro-phenyl] 4-[4-(11-prop-2-enoyloxyundecoxy)phenyl]benzoate CAS Name: 4-[4-[11-(1-oxoprop-2-enoxy)undecoxy]phenyl]benzoic acid (4-hexan-2-yloxy-3-nitrophenyl) ester IUPAC Name: (4-hexan-2-yloxy-3-nitrophenyl) 4-[4-(11-prop-2-enoyloxyundecoxy)phenyl]benzoate Traditional Name: 4-[4-(11-acryloyloxyundecoxy)phenyl]benzoic acid [4-(1-methylpentoxy)-3-nitro-phenyl] ester Formula: C39H49NO8 MolecularWeight: 659.80826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCCCCCOC(=O)C=C)[N+](=O)[O-]

Isomeric SMILES

CCCCC(C)OC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCCCCCOC(=O)C=C)[N+](=O)[O-]

InChI

InChI=1S/C39H49NO8/c1-4-6-16-30(3)47-37-26-25-35(29-36(37)40(43)44)48-39(42)33-19-17-31(18-20-33)32-21-23-34(24-22-32)45-27-14-12-10-8-7-9-11-13-15-28-46-38(41)5-2/h5,17-26,29-30H,2,4,6-16,27-28H2,1,3H3