[1-azido-3-(2-chloranylphenoxy)propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-azido-3-(2-chloranylphenoxy)propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-(azidomethyl)-2-(2-chlorophenoxy)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-azido-3-(2-chlorophenoxy)propan-2-yl] ester IUPAC Name: [1-azido-3-(2-chlorophenoxy)propan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(azidomethyl)-2-(2-chlorophenoxy)ethyl] ester Formula: C16H16ClN3O4S MolecularWeight: 381.83394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CN=[N+]=[N-])COC2=CC=CC=C2Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CN=[N+]=[N-])COC2=CC=CC=C2Cl

InChI

InChI=1S/C16H16ClN3O4S/c1-12-6-8-14(9-7-12)25(21,22)24-13(10-19-20-18)11-23-16-5-3-2-4-15(16)17/h2-9,13H,10-11H2,1H3