2-oxidanylidenepentyl 5-bromanyl-2-methoxy-benzenesulfonate

Systemtic Name: 2-oxidanylidenepentyl 5-bromanyl-2-methoxy-benzenesulfonate Openeye Name: 2-oxopentyl 5-bromo-2-methoxy-benzenesulfonate CAS Name: 5-bromo-2-methoxybenzenesulfonic acid 2-oxopentyl ester IUPAC Name: 2-oxopentyl 5-bromo-2-methoxybenzenesulfonate Traditional Name: 5-bromo-2-methoxy-benzenesulfonic acid 2-ketopentyl ester Formula: C12H15BrO5S MolecularWeight: 351.2135

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)COS(=O)(=O)C1=C(C=CC(=C1)Br)OC

Isomeric SMILES

CCCC(=O)COS(=O)(=O)C1=C(C=CC(=C1)Br)OC

InChI

InChI=1S/C12H15BrO5S/c1-3-4-10(14)8-18-19(15,16)12-7-9(13)5-6-11(12)17-2/h5-7H,3-4,8H2,1-2H3