2-bromoethyl 3,5-dimethyl-4-(trioxidanylsulfanyl)benzoate

Systemtic Name: 2-bromoethyl 3,5-dimethyl-4-(trioxidanylsulfanyl)benzoate Openeye Name: 2-bromoethyl 3,5-dimethyl-4-(trioxidanylsulfanyl)benzoate CAS Name: 3,5-dimethyl-4-(trioxidanylthio)benzoic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl 3,5-dimethyl-4-(trioxidanylsulfanyl)benzoate Traditional Name: 3,5-dimethyl-4-(trioxidanylthio)benzoic acid 2-bromoethyl ester Formula: C11H13BrO5S MolecularWeight: 337.18692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SOOO)C)C(=O)OCCBr

Isomeric SMILES

CC1=CC(=CC(=C1SOOO)C)C(=O)OCCBr

InChI

InChI=1S/C11H13BrO5S/c1-7-5-9(11(13)15-4-3-12)6-8(2)10(7)18-17-16-14/h5-6,14H,3-4H2,1-2H3