2-bromoethyl 2-methyl-4-(trioxidanylsulfanyl)benzenesulfonate

Systemtic Name: 2-bromoethyl 2-methyl-4-(trioxidanylsulfanyl)benzenesulfonate Openeye Name: 2-bromoethyl 2-methyl-4-(trioxidanylsulfanyl)benzenesulfonate CAS Name: 2-methyl-4-(trioxidanylthio)benzenesulfonic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl 2-methyl-4-(trioxidanylsulfanyl)benzenesulfonate Traditional Name: 2-methyl-4-(trioxidanylthio)benzenesulfonic acid 2-bromoethyl ester Formula: C9H11BrO6S2 MolecularWeight: 359.21404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SOOO)S(=O)(=O)OCCBr

Isomeric SMILES

CC1=C(C=CC(=C1)SOOO)S(=O)(=O)OCCBr

InChI

InChI=1S/C9H11BrO6S2/c1-7-6-8(17-16-15-11)2-3-9(7)18(12,13)14-5-4-10/h2-3,6,11H,4-5H2,1H3