(4-propan-2-ylphenyl)methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (4-propan-2-ylphenyl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (4-isopropylphenyl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (4-isopropylbenzyl) ester Formula: C18H19ClO4S MolecularWeight: 366.85906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClO4S/c1-12(2)14-6-4-13(5-7-14)11-23-18(20)16-10-15(24(3,21)22)8-9-17(16)19/h4-10,12H,11H2,1-3H3