methyl-[(2S)-2-oxidanyl-3-(2,3,5-trimethylphenoxy)propyl]sulfamic acid

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-(2,3,5-trimethylphenoxy)propyl]sulfamic acid Openeye Name: [(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]-methyl-sulfamic acid CAS Name: [(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]-methylsulfamic acid IUPAC Name: [(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]-methylsulfamic acid Traditional Name: [(2S)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]-methyl-sulfamic acid Formula: C13H21NO5S MolecularWeight: 303.37454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC(CN(C)S(=O)(=O)O)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC[C@H](CN(C)S(=O)(=O)O)O)C)C

InChI

InChI=1S/C13H21NO5S/c1-9-5-10(2)11(3)13(6-9)19-8-12(15)7-14(4)20(16,17)18/h5-6,12,15H,7-8H2,1-4H3,(H,16,17,18)/t12-/m0/s1