(4-chloranyl-3-ethyl-phenyl) 4-methylsulfonylbenzoate

Systemtic Name: (4-chloranyl-3-ethyl-phenyl) 4-methylsulfonylbenzoate Openeye Name: (4-chloro-3-ethyl-phenyl) 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid (4-chloro-3-ethylphenyl) ester IUPAC Name: (4-chloro-3-ethylphenyl) 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (4-chloro-3-ethyl-phenyl) ester Formula: C16H15ClO4S MolecularWeight: 338.8059

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C16H15ClO4S/c1-3-11-10-13(6-9-15(11)17)21-16(18)12-4-7-14(8-5-12)22(2,19)20/h4-10H,3H2,1-2H3