(2-bromanyl-6-ethoxy-4-methanoyl-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (2-bromanyl-6-ethoxy-4-methanoyl-phenyl) 4-methylbenzenesulfonate Openeye Name: (2-bromo-6-ethoxy-4-formyl-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-bromo-6-ethoxy-4-formylphenyl) ester IUPAC Name: (2-bromo-6-ethoxy-4-formylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-bromo-6-ethoxy-4-formyl-phenyl) ester Formula: C16H15BrO5S MolecularWeight: 399.2563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=O)Br)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=O)Br)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H15BrO5S/c1-3-21-15-9-12(10-18)8-14(17)16(15)22-23(19,20)13-6-4-11(2)5-7-13/h4-10H,3H2,1-2H3