[3-(2,5-dimethylphenyl)sulfonyl-2-oxidanyl-propyl] ethanoate

Systemtic Name: [3-(2,5-dimethylphenyl)sulfonyl-2-oxidanyl-propyl] ethanoate Openeye Name: [3-(2,5-dimethylphenyl)sulfonyl-2-hydroxy-propyl] acetate CAS Name: acetic acid [3-(2,5-dimethylphenyl)sulfonyl-2-hydroxypropyl] ester IUPAC Name: [3-(2,5-dimethylphenyl)sulfonyl-2-hydroxypropyl] acetate Traditional Name: acetic acid [3-(2,5-dimethylphenyl)sulfonyl-2-hydroxy-propyl] ester Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CC(COC(=O)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CC(COC(=O)C)O

InChI

InChI=1S/C13H18O5S/c1-9-4-5-10(2)13(6-9)19(16,17)8-12(15)7-18-11(3)14/h4-6,12,15H,7-8H2,1-3H3