3-(2-methyl-2-oxidanyl-1,3-benzoxazol-3-yl)propane-1-sulfonic acid

Systemtic Name: 3-(2-methyl-2-oxidanyl-1,3-benzoxazol-3-yl)propane-1-sulfonic acid Openeye Name: 3-(2-hydroxy-2-methyl-1,3-benzoxazol-3-yl)propane-1-sulfonic acid CAS Name: 3-(2-hydroxy-2-methyl-1,3-benzoxazol-3-yl)-1-propanesulfonic acid IUPAC Name: 3-(2-hydroxy-2-methyl-1,3-benzoxazol-3-yl)propane-1-sulfonic acid Traditional Name: 3-(2-hydroxy-2-methyl-1,3-benzoxazol-3-yl)propane-1-sulfonic acid Formula: C11H15NO5S MolecularWeight: 273.3055

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C2=CC=CC=C2O1)CCCS(=O)(=O)O)O

Isomeric SMILES

CC1(N(C2=CC=CC=C2O1)CCCS(=O)(=O)O)O

InChI

InChI=1S/C11H15NO5S/c1-11(13)12(7-4-8-18(14,15)16)9-5-2-3-6-10(9)17-11/h2-3,5-6,13H,4,7-8H2,1H3,(H,14,15,16)