[2,2-bis(azidomethyl)-3-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [2,2-bis(azidomethyl)-3-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [2,2-bis(azidomethyl)-3-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,2-bis(azidomethyl)-3-hydroxypropyl] ester IUPAC Name: [2,2-bis(azidomethyl)-3-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,2-bis(azidomethyl)-3-hydroxy-propyl] ester Formula: C12H16N6O4S MolecularWeight: 340.35824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CN=[N+]=[N-])(CN=[N+]=[N-])CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CN=[N+]=[N-])(CN=[N+]=[N-])CO

InChI

InChI=1S/C12H16N6O4S/c1-10-2-4-11(5-3-10)23(20,21)22-9-12(8-19,6-15-17-13)7-16-18-14/h2-5,19H,6-9H2,1H3