[2-bromanyl-6-nitro-4-(trifluoromethyl)phenyl] 4-heptylbenzoate

Systemtic Name: [2-bromanyl-6-nitro-4-(trifluoromethyl)phenyl] 4-heptylbenzoate Openeye Name: [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] ester IUPAC Name: [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [2-bromo-6-nitro-4-(trifluoromethyl)phenyl] ester Formula: C21H21BrF3NO4 MolecularWeight: 488.29495

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21BrF3NO4/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)20(27)30-19-17(22)12-16(21(23,24)25)13-18(19)26(28)29/h8-13H,2-7H2,1H3