[3,5-dimethyl-4-(trioxidanylsulfanyl)phenyl] 3-chloranylpropanoate

Systemtic Name: [3,5-dimethyl-4-(trioxidanylsulfanyl)phenyl] 3-chloranylpropanoate Openeye Name: [3,5-dimethyl-4-(trioxidanylsulfanyl)phenyl] 3-chloropropanoate CAS Name: 3-chloropropanoic acid [3,5-dimethyl-4-(trioxidanylthio)phenyl] ester IUPAC Name: [3,5-dimethyl-4-(trioxidanylsulfanyl)phenyl] 3-chloropropanoate Traditional Name: 3-chloropropionic acid [3,5-dimethyl-4-(trioxidanylthio)phenyl] ester Formula: C11H13ClO5S MolecularWeight: 292.73592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SOOO)C)OC(=O)CCCl

Isomeric SMILES

CC1=CC(=CC(=C1SOOO)C)OC(=O)CCCl

InChI

InChI=1S/C11H13ClO5S/c1-7-5-9(15-10(13)3-4-12)6-8(2)11(7)18-17-16-14/h5-6,14H,3-4H2,1-2H3