(4-pentadecoxycarbonylphenyl) 4-nitrobenzoate

Systemtic Name: (4-pentadecoxycarbonylphenyl) 4-nitrobenzoate Openeye Name: (4-pentadecoxycarbonylphenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[oxo(pentadecoxy)methyl]phenyl] ester IUPAC Name: (4-pentadecoxycarbonylphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-pentadecoxycarbonylphenyl) ester Formula: C29H39NO6 MolecularWeight: 497.62306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C29H39NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-35-28(31)24-17-21-27(22-18-24)36-29(32)25-15-19-26(20-16-25)30(33)34/h15-22H,2-14,23H2,1H3