(2,3,6-trimethylphenyl) 3-(4-chlorophenyl)sulfonylpropanoate

Systemtic Name: (2,3,6-trimethylphenyl) 3-(4-chlorophenyl)sulfonylpropanoate Openeye Name: (2,3,6-trimethylphenyl) 3-(4-chlorophenyl)sulfonylpropanoate CAS Name: 3-(4-chlorophenyl)sulfonylpropanoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-(4-chlorophenyl)sulfonylpropanoate Traditional Name: 3-(4-chlorophenyl)sulfonylpropionic acid (2,3,6-trimethylphenyl) ester Formula: C18H19ClO4S MolecularWeight: 366.85906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl)C

InChI

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