4-[(E)-but-2-en-2-yl]-3-methylsulfonyl-benzoyl chloride

Systemtic Name: 4-[(E)-but-2-en-2-yl]-3-methylsulfonyl-benzoyl chloride Openeye Name: 4-[(E)-1-methylprop-1-enyl]-3-methylsulfonyl-benzoyl chloride CAS Name: 4-[(E)-but-2-en-2-yl]-3-methylsulfonylbenzoyl chloride IUPAC Name: 4-[(E)-but-2-en-2-yl]-3-methylsulfonylbenzoyl chloride Traditional Name: 3-mesyl-4-[(E)-1-methylprop-1-enyl]benzoyl chloride Formula: C12H13ClO3S MolecularWeight: 272.74782

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C1=C(C=C(C=C1)C(=O)Cl)S(=O)(=O)C

Isomeric SMILES

C/C=C(\C)/C1=C(C=C(C=C1)C(=O)Cl)S(=O)(=O)C

InChI

InChI=1S/C12H13ClO3S/c1-4-8(2)10-6-5-9(12(13)14)7-11(10)17(3,15)16/h4-7H,1-3H3/b8-4+