propyl 2-chloranylsulfonyl-3-ethyl-benzoate

Systemtic Name: propyl 2-chloranylsulfonyl-3-ethyl-benzoate Openeye Name: propyl 2-chlorosulfonyl-3-ethyl-benzoate CAS Name: 2-chlorosulfonyl-3-ethylbenzoic acid propyl ester IUPAC Name: propyl 2-chlorosulfonyl-3-ethylbenzoate Traditional Name: 2-chlorosulfonyl-3-ethyl-benzoic acid propyl ester Formula: C12H15ClO4S MolecularWeight: 290.7631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClO4S/c1-3-8-17-12(14)10-7-5-6-9(4-2)11(10)18(13,15)16/h5-7H,3-4,8H2,1-2H3