[4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] 3-nitro-4-tetradecoxy-benzoate

Systemtic Name: [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] 3-nitro-4-tetradecoxy-benzoate Openeye Name: [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] 3-nitro-4-tetradecoxy-benzoate CAS Name: 3-nitro-4-tetradecoxybenzoic acid [4-[2-[2-methylbutoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] 3-nitro-4-tetradecoxybenzoate Traditional Name: 4-myristyloxy-3-nitro-benzoic acid [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] ester Formula: C39H51NO7 MolecularWeight: 645.82474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OCC(C)CC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OCC(C)CC)[N+](=O)[O-]

InChI

InChI=1S/C39H51NO7/c1-4-6-7-8-9-10-11-12-13-14-15-18-27-45-37-26-23-32(28-36(37)40(43)44)38(41)47-33-24-21-31(22-25-33)34-19-16-17-20-35(34)39(42)46-29-30(3)5-2/h16-17,19-26,28,30H,4-15,18,27,29H2,1-3H3