[4-(azidomethyl)-5-phenyl-1,3-bis(phenylmethoxy)pentan-2-yl] methanesulfonate

Systemtic Name: [4-(azidomethyl)-5-phenyl-1,3-bis(phenylmethoxy)pentan-2-yl] methanesulfonate Openeye Name: [3-(azidomethyl)-2-benzyloxy-1-(benzyloxymethyl)-4-phenyl-butyl] methanesulfonate CAS Name: methanesulfonic acid [4-(azidomethyl)-5-phenyl-1,3-bis(phenylmethoxy)pentan-2-yl] ester IUPAC Name: [4-(azidomethyl)-5-phenyl-1,3-bis(phenylmethoxy)pentan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(azidomethyl)-2-benzoxy-1-(benzoxymethyl)-4-phenyl-butyl] ester Formula: C27H31N3O5S MolecularWeight: 509.61714

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(COCC1=CC=CC=C1)C(C(CC2=CC=CC=C2)CN=[N+]=[N-])OCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OC(COCC1=CC=CC=C1)C(C(CC2=CC=CC=C2)CN=[N+]=[N-])OCC3=CC=CC=C3

InChI

InChI=1S/C27H31N3O5S/c1-36(31,32)35-26(21-33-19-23-13-7-3-8-14-23)27(34-20-24-15-9-4-10-16-24)25(18-29-30-28)17-22-11-5-2-6-12-22/h2-16,25-27H,17-21H2,1H3