[(1R,2R)-2-hex-1-ynylcyclohexyl] 4-nitrobenzoate

Systemtic Name: [(1R,2R)-2-hex-1-ynylcyclohexyl] 4-nitrobenzoate Openeye Name: [(1R,2R)-2-hex-1-ynylcyclohexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,2R)-2-hex-1-ynylcyclohexyl] ester IUPAC Name: [(1R,2R)-2-hex-1-ynylcyclohexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,2R)-2-hex-1-ynylcyclohexyl] ester Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1CCCCC1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC#C[C@H]1CCCC[C@H]1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H23NO4/c1-2-3-4-5-8-15-9-6-7-10-18(15)24-19(21)16-11-13-17(14-12-16)20(22)23/h11-15,18H,2-4,6-7,9-10H2,1H3/t15-,18+/m0/s1