[(2R,3S)-2,3-bis(bromanyl)tridecyl] 4-nitrobenzoate

Systemtic Name: [(2R,3S)-2,3-bis(bromanyl)tridecyl] 4-nitrobenzoate Openeye Name: [(2R,3S)-2,3-dibromotridecyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R,3S)-2,3-dibromotridecyl] ester IUPAC Name: [(2R,3S)-2,3-dibromotridecyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2R,3S)-2,3-dibromotridecyl] ester Formula: C20H29Br2NO4 MolecularWeight: 507.25656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])Br)Br

Isomeric SMILES

CCCCCCCCCC[C@@H]([C@@H](COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])Br)Br

InChI

InChI=1S/C20H29Br2NO4/c1-2-3-4-5-6-7-8-9-10-18(21)19(22)15-27-20(24)16-11-13-17(14-12-16)23(25)26/h11-14,18-19H,2-10,15H2,1H3/t18-,19+/m0/s1