[(5S,8R)-5-azido-8-sulfooxy-dodecyl] benzoate

Systemtic Name: [(5S,8R)-5-azido-8-sulfooxy-dodecyl] benzoate Openeye Name: [(5S,8R)-5-azido-8-sulfooxy-dodecyl] benzoate CAS Name: benzoic acid [(5S,8R)-5-azido-8-sulfooxydodecyl] ester IUPAC Name: [(5S,8R)-5-azido-8-sulfooxydodecyl] benzoate Traditional Name: benzoic acid [(5S,8R)-5-azido-8-sulfoxy-dodecyl] ester Formula: C19H29N3O6S MolecularWeight: 427.51506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(CCCCOC(=O)C1=CC=CC=C1)N=[N+]=[N-])OS(=O)(=O)O

Isomeric SMILES

CCCC[C@H](CC[C@H](CCCCOC(=O)C1=CC=CC=C1)N=[N+]=[N-])OS(=O)(=O)O

InChI

InChI=1S/C19H29N3O6S/c1-2-3-12-18(28-29(24,25)26)14-13-17(21-22-20)11-7-8-15-27-19(23)16-9-5-4-6-10-16/h4-6,9-10,17-18H,2-3,7-8,11-15H2,1H3,(H,24,25,26)/t17-,18+/m0/s1