[(2S)-2-azido-2-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-azido-2-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-azido-2-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-azido-2-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethyl] ester IUPAC Name: [(2S)-2-azido-2-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-azido-2-[(4S,5S)-2,2-dimethyl-5-myristyl-1,3-dioxolan-4-yl]ethyl] ester Formula: C28H47N3O5S MolecularWeight: 537.75488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1C(OC(O1)(C)C)C(COS(=O)(=O)C2=CC=C(C=C2)C)N=[N+]=[N-]

Isomeric SMILES

CCCCCCCCCCCCCC[C@H]1[C@@H](OC(O1)(C)C)[C@H](COS(=O)(=O)C2=CC=C(C=C2)C)N=[N+]=[N-]

InChI

InChI=1S/C28H47N3O5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-26-27(36-28(3,4)35-26)25(30-31-29)22-34-37(32,33)24-20-18-23(2)19-21-24/h18-21,25-27H,5-17,22H2,1-4H3/t25-,26-,27-/m0/s1