3-(5,6-dimethyl-1,3-benzoxazol-2-yl)propane-1-sulfonic acid

Systemtic Name: 3-(5,6-dimethyl-1,3-benzoxazol-2-yl)propane-1-sulfonic acid Openeye Name: 3-(5,6-dimethyl-1,3-benzoxazol-2-yl)propane-1-sulfonic acid CAS Name: 3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1-propanesulfonic acid IUPAC Name: 3-(5,6-dimethyl-1,3-benzoxazol-2-yl)propane-1-sulfonic acid Traditional Name: 3-(5,6-dimethyl-1,3-benzoxazol-2-yl)propane-1-sulfonic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)CCCS(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)CCCS(=O)(=O)O

InChI

InChI=1S/C12H15NO4S/c1-8-6-10-11(7-9(8)2)17-12(13-10)4-3-5-18(14,15)16/h6-7H,3-5H2,1-2H3,(H,14,15,16)