methyl 4-bromanyl-2-methyl-5-(3-oxidanylpropylsulfonyl)benzoate

Systemtic Name: methyl 4-bromanyl-2-methyl-5-(3-oxidanylpropylsulfonyl)benzoate Openeye Name: methyl 4-bromo-5-(3-hydroxypropylsulfonyl)-2-methyl-benzoate CAS Name: 4-bromo-5-(3-hydroxypropylsulfonyl)-2-methylbenzoic acid methyl ester IUPAC Name: methyl 4-bromo-5-(3-hydroxypropylsulfonyl)-2-methylbenzoate Traditional Name: 4-bromo-5-(3-hydroxypropylsulfonyl)-2-methyl-benzoic acid methyl ester Formula: C12H15BrO5S MolecularWeight: 351.2135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)CCCO)Br

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)CCCO)Br

InChI

InChI=1S/C12H15BrO5S/c1-8-6-10(13)11(7-9(8)12(15)18-2)19(16,17)5-3-4-14/h6-7,14H,3-5H2,1-2H3