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(3-methyl-4-methylsulfonyl-phenyl)methanethiol ethanoate

(3-methyl-4-methylsulfonyl-phenyl)methanethiol ethanoate

Systemtic Name:(3-methyl-4-methylsulfonyl-phenyl)methanethiol ethanoate
Openeye Name:(3-methyl-4-methylsulfonyl-phenyl)methanethiol acetate
CAS Name:(3-methyl-4-methylsulfonylphenyl)methanethiol acetate
IUPAC Name:(3-methyl-4-methylsulfonylphenyl)methanethiol acetate
Traditional Name:(4-mesyl-3-methyl-phenyl)methanethiol acetate
Formula: C11H15O4S2-
MolecularWeight: 275.3644
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CS)S(=O)(=O)C.CC(=O)[O-]


Isomeric SMILES

CC1=C(C=CC(=C1)CS)S(=O)(=O)C.CC(=O)[O-]


InChI

InChI=1S/C9H12O2S2.C2H4O2/c1-7-5-8(6-12)3-4-9(7)13(2,10)11;1-2(3)4/h3-5,12H,6H2,1-2H3;1H3,(H,3,4)/p-1


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