3-(5-bromanyl-1,3-benzoxazol-2-yl)propane-1-sulfonic acid

Systemtic Name: 3-(5-bromanyl-1,3-benzoxazol-2-yl)propane-1-sulfonic acid Openeye Name: 3-(5-bromo-1,3-benzoxazol-2-yl)propane-1-sulfonic acid CAS Name: 3-(5-bromo-1,3-benzoxazol-2-yl)-1-propanesulfonic acid IUPAC Name: 3-(5-bromo-1,3-benzoxazol-2-yl)propane-1-sulfonic acid Traditional Name: 3-(5-bromo-1,3-benzoxazol-2-yl)propane-1-sulfonic acid Formula: C10H10BrNO4S MolecularWeight: 320.1597

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)N=C(O2)CCCS(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)N=C(O2)CCCS(=O)(=O)O

InChI

InChI=1S/C10H10BrNO4S/c11-7-3-4-9-8(6-7)12-10(16-9)2-1-5-17(13,14)15/h3-4,6H,1-2,5H2,(H,13,14,15)