[3-azido-3-(iodanylmethyl)-2-prop-1-ynyl-cyclohexyl] benzoate

Systemtic Name: [3-azido-3-(iodanylmethyl)-2-prop-1-ynyl-cyclohexyl] benzoate Openeye Name: [3-azido-3-(iodomethyl)-2-prop-1-ynyl-cyclohexyl] benzoate CAS Name: benzoic acid [3-azido-3-(iodomethyl)-2-prop-1-ynylcyclohexyl] ester IUPAC Name: [3-azido-3-(iodomethyl)-2-prop-1-ynylcyclohexyl] benzoate Traditional Name: benzoic acid [3-azido-3-(iodomethyl)-2-prop-1-ynyl-cyclohexyl] ester Formula: C17H18IN3O2 MolecularWeight: 423.24819

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1C(CCCC1(CI)N=[N+]=[N-])OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC#CC1C(CCCC1(CI)N=[N+]=[N-])OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H18IN3O2/c1-2-7-14-15(10-6-11-17(14,12-18)20-21-19)23-16(22)13-8-4-3-5-9-13/h3-5,8-9,14-15H,6,10-12H2,1H3