ethyl 4-butoxy-3-chloranylsulfonyl-benzoate

Systemtic Name: ethyl 4-butoxy-3-chloranylsulfonyl-benzoate Openeye Name: ethyl 4-butoxy-3-chlorosulfonyl-benzoate CAS Name: 4-butoxy-3-chlorosulfonylbenzoic acid ethyl ester IUPAC Name: ethyl 4-butoxy-3-chlorosulfonylbenzoate Traditional Name: 4-butoxy-3-chlorosulfonyl-benzoic acid ethyl ester Formula: C13H17ClO5S MolecularWeight: 320.78908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC)S(=O)(=O)Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC)S(=O)(=O)Cl

InChI

InChI=1S/C13H17ClO5S/c1-3-5-8-19-11-7-6-10(13(15)18-4-2)9-12(11)20(14,16)17/h6-7,9H,3-5,8H2,1-2H3