2-[2-(3,5-dimethylphenoxy)ethylsulfonyl]benzoate

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfonyl]benzoate Openeye Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfonyl]benzoate CAS Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfonyl]benzoate IUPAC Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfonyl]benzoate Traditional Name: 2-[2-(3,5-dimethylphenoxy)ethylsulfonyl]benzoate Formula: C17H17O5S- MolecularWeight: 333.37888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C

InChI

InChI=1S/C17H18O5S/c1-12-9-13(2)11-14(10-12)22-7-8-23(20,21)16-6-4-3-5-15(16)17(18)19/h3-6,9-11H,7-8H2,1-2H3,(H,18,19)/p-1