propan-2-yl 4-bromanyl-2-methyl-5-propan-2-ylsulfonyl-benzoate

Systemtic Name: propan-2-yl 4-bromanyl-2-methyl-5-propan-2-ylsulfonyl-benzoate Openeye Name: isopropyl 4-bromo-5-isopropylsulfonyl-2-methyl-benzoate CAS Name: 4-bromo-2-methyl-5-propan-2-ylsulfonylbenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-bromo-2-methyl-5-propan-2-ylsulfonylbenzoate Traditional Name: 4-bromo-5-isopropylsulfonyl-2-methyl-benzoic acid isopropyl ester Formula: C14H19BrO4S MolecularWeight: 363.26726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrO4S/c1-8(2)19-14(16)11-7-13(12(15)6-10(11)5)20(17,18)9(3)4/h6-9H,1-5H3