3-ethyl-2-methyl-1,3-benzoxazol-3-ium-5-sulfonate

Systemtic Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium-5-sulfonate Openeye Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium-5-sulfonate CAS Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium-5-sulfonate IUPAC Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium-5-sulfonate Traditional Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium-5-sulfonate Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(OC2=C1C=C(C=C2)S(=O)(=O)[O-])C

Isomeric SMILES

CC[N+]1=C(OC2=C1C=C(C=C2)S(=O)(=O)[O-])C

InChI

InChI=1S/C10H11NO4S/c1-3-11-7(2)15-10-5-4-8(6-9(10)11)16(12,13)14/h4-6H,3H2,1-2H3