3-(5-chloranyl-2-methyl-2H-1,3-benzoxazol-3-yl)propane-1-sulfonic acid

Systemtic Name: 3-(5-chloranyl-2-methyl-2H-1,3-benzoxazol-3-yl)propane-1-sulfonic acid Openeye Name: 3-(5-chloro-2-methyl-2H-1,3-benzoxazol-3-yl)propane-1-sulfonic acid CAS Name: 3-(5-chloro-2-methyl-2H-1,3-benzoxazol-3-yl)-1-propanesulfonic acid IUPAC Name: 3-(5-chloro-2-methyl-2H-1,3-benzoxazol-3-yl)propane-1-sulfonic acid Traditional Name: 3-(5-chloro-2-methyl-2H-1,3-benzoxazol-3-yl)propane-1-sulfonic acid Formula: C11H14ClNO4S MolecularWeight: 291.75116

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(O1)C=CC(=C2)Cl)CCCS(=O)(=O)O

Isomeric SMILES

CC1N(C2=C(O1)C=CC(=C2)Cl)CCCS(=O)(=O)O

InChI

InChI=1S/C11H14ClNO4S/c1-8-13(5-2-6-18(14,15)16)10-7-9(12)3-4-11(10)17-8/h3-4,7-8H,2,5-6H2,1H3,(H,14,15,16)