(5-bromanyl-2-methoxy-phenyl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (5-bromo-2-methoxy-benzyl) ester Formula: C17H17BrO5S MolecularWeight: 413.28288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C17H17BrO5S/c1-11-4-6-14(24(3,20)21)9-15(11)17(19)23-10-12-8-13(18)5-7-16(12)22-2/h4-9H,10H2,1-3H3