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5-ethanoyl-2-methyl-benzenesulfonate

5-ethanoyl-2-methyl-benzenesulfonate

Systemtic Name:5-ethanoyl-2-methyl-benzenesulfonate
Openeye Name:5-acetyl-2-methyl-benzenesulfonate
CAS Name:5-acetyl-2-methylbenzenesulfonate
IUPAC Name:5-acetyl-2-methylbenzenesulfonate
Traditional Name:5-acetyl-2-methyl-besylate
Formula: C9H9O4S-
MolecularWeight: 213.23036
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C)S(=O)(=O)[O-]


Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C)S(=O)(=O)[O-]


InChI

InChI=1S/C9H10O4S/c1-6-3-4-8(7(2)10)5-9(6)14(11,12)13/h3-5H,1-2H3,(H,11,12,13)/p-1


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