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

Systemtic Name: 1-(2H-1,3-benzoxazol-3-yl)propane-1-sulfonic acid Openeye Name: 1-(2H-1,3-benzoxazol-3-yl)propane-1-sulfonic acid CAS Name: 1-(2H-1,3-benzoxazol-3-yl)-1-propanesulfonic acid IUPAC Name: 1-(2H-1,3-benzoxazol-3-yl)propane-1-sulfonic acid Traditional Name: 1-(2H-1,3-benzoxazol-3-yl)propane-1-sulfonic acid Formula: C10H13NO4S MolecularWeight: 243.27952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1COC2=CC=CC=C21)S(=O)(=O)O

Isomeric SMILES

CCC(N1COC2=CC=CC=C21)S(=O)(=O)O

InChI

InChI=1S/C10H13NO4S/c1-2-10(16(12,13)14)11-7-15-9-6-4-3-5-8(9)11/h3-6,10H,2,7H2,1H3,(H,12,13,14)