[4-(4-heptylphenoxy)carbonylphenyl] 4-nitrobenzoate

Systemtic Name: [4-(4-heptylphenoxy)carbonylphenyl] 4-nitrobenzoate Openeye Name: [4-(4-heptylphenoxy)carbonylphenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(4-heptylphenoxy)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-heptylphenoxy)carbonylphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-(4-heptylphenoxy)carbonylphenyl] ester Formula: C27H27NO6 MolecularWeight: 461.50638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H27NO6/c1-2-3-4-5-6-7-20-8-16-24(17-9-20)33-27(30)22-12-18-25(19-13-22)34-26(29)21-10-14-23(15-11-21)28(31)32/h8-19H,2-7H2,1H3