2-butyl-6-chloranyl-1,3-benzoxazole-7-sulfonic acid

Systemtic Name: 2-butyl-6-chloranyl-1,3-benzoxazole-7-sulfonic acid Openeye Name: 2-butyl-6-chloro-1,3-benzoxazole-7-sulfonic acid CAS Name: 2-butyl-6-chloro-1,3-benzoxazole-7-sulfonic acid IUPAC Name: 2-butyl-6-chloro-1,3-benzoxazole-7-sulfonic acid Traditional Name: 2-butyl-6-chloro-1,3-benzoxazole-7-sulfonic acid Formula: C11H12ClNO4S MolecularWeight: 289.73528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(O1)C(=C(C=C2)Cl)S(=O)(=O)O

Isomeric SMILES

CCCCC1=NC2=C(O1)C(=C(C=C2)Cl)S(=O)(=O)O

InChI

InChI=1S/C11H12ClNO4S/c1-2-3-4-9-13-8-6-5-7(12)11(10(8)17-9)18(14,15)16/h5-6H,2-4H2,1H3,(H,14,15,16)