2-[2,3-dimethyl-4-(4-methylsulfonyloxybut-1-ynyl)phenyl]ethanoic acid

Systemtic Name: 2-[2,3-dimethyl-4-(4-methylsulfonyloxybut-1-ynyl)phenyl]ethanoic acid Openeye Name: 2-[2,3-dimethyl-4-(4-methylsulfonyloxybut-1-ynyl)phenyl]acetic acid CAS Name: 2-[2,3-dimethyl-4-(4-methylsulfonyloxybut-1-ynyl)phenyl]acetic acid IUPAC Name: 2-[2,3-dimethyl-4-(4-methylsulfonyloxybut-1-ynyl)phenyl]acetic acid Traditional Name: 2-[2,3-dimethyl-4-(4-methylsulfonyloxybut-1-ynyl)phenyl]acetic acid Formula: C15H18O5S MolecularWeight: 310.36542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)C#CCCOS(=O)(=O)C)CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C)C#CCCOS(=O)(=O)C)CC(=O)O

InChI

InChI=1S/C15H18O5S/c1-11-12(2)14(10-15(16)17)8-7-13(11)6-4-5-9-20-21(3,18)19/h7-8H,5,9-10H2,1-3H3,(H,16,17)