4-[(E)-but-1-enyl]-3-methylsulfonyl-benzoyl chloride

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1=C(C=C(C=C1)C(=O)Cl)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO3S/c1-3-4-5-9-6-7-10(12(13)14)8-11(9)17(2,15)16/h4-8H,3H2,1-2H3/b5-4+