(4-tert-butylphenyl)methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (4-tert-butylphenyl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (4-tert-butylbenzyl) ester Formula: C19H21ClO4S MolecularWeight: 380.88564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C19H21ClO4S/c1-19(2,3)14-7-5-13(6-8-14)12-24-18(21)16-11-15(25(4,22)23)9-10-17(16)20/h5-11H,12H2,1-4H3